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CAS 105355-25-7
Also known as: 105355-25-7, Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate, Methyl 2-bromo-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate, 2-bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic acid methyl ester, Methyl 2-bromo-3-(4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl)propionate, Methyl 2-bromo-3-{4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}propionate
Molecular Formula
C19H22BrNO3
Molecular Weight
392.3  g/mol
InChI Key
CJQRUDWOZDEKKO-UHFFFAOYSA-N

1 2D Structure

CAS 105355-25-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-bromo-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate
2.1.2 InChI
InChI=1S/C19H22BrNO3/c1-3-14-4-7-16(21-13-14)10-11-24-17-8-5-15(6-9-17)12-18(20)19(22)23-2/h4-9,13,18H,3,10-12H2,1-2H3
2.1.3 InChI Key
CJQRUDWOZDEKKO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC(C(=O)OC)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105355-25-7

2. Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate

3. Methyl 2-bromo-3-[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]propanoate

4. 2-bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic Acid Methyl Ester

5. Methyl 2-bromo-3-(4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl)propionate

6. Methyl 2-bromo-3-{4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl}propionate

7. Methyl 2-bromo-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}propanoate

8. Schembl1201518

9. Dtxsid20469438

10. Act04246

11. Bcp11197

12. Akos015900317

13. Ac-3451

14. Db-027337

15. Ft-0653888

16. 355m257

17. Methyl-2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]-propionate

18. Methyl2-bromo-3-(4-(2-(5-ethylpyridin-2-yl)ethoxy)phenyl)propanoate

19. 2-bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propanoic Acid Methyl Ester

20. Benzenepropanoic Acid, A-bromo-4-[2-(5-ethyl-2-pyridinyl)ethoxy]-,methyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 392.3 g/mol
Molecular Formula C19H22BrNO3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass391.07831 g/mol
Monoisotopic Mass391.07831 g/mol
Topological Polar Surface Area48.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
105355-25-7
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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