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CAS 149105-26-0

CAS 149105-26-0

Chemistry, 1 End Use API, 2 Related Intermediates

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CAS 149105-26-0

Also known as: 149105-26-0, Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate, 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate, Gemfibrozil isobutyl ester, Dtxsid20576919, Zinc21298080

Molecular Formula

C₁₉H₃₀O₃

Molecular Weight

306.4 g/mol

InChI Key

REPYTKNMHNVOPH-UHFFFAOYSA-N

1 2D Structure

CAS 149105-26-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

2.1.2 InChI

InChI=1S/C19H30O3/c1-14(2)13-22-18(20)19(5,6)10-7-11-21-17-12-15(3)8-9-16(17)4/h8-9,12,14H,7,10-11,13H2,1-6H3

2.1.3 InChI Key

REPYTKNMHNVOPH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)OCC(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149105-26-0

2. Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate

3. 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

4. Gemfibrozil Isobutyl Ester

5. Dtxsid20576919

6. Zinc21298080

7. Akos015890678

8. Ac-19610

9. Ft-0653809

10. 105i260

11. 2,2-dimethyl-5-(2,5-xylyloxy) Valeric Isobutyl Ester

12. Isobutyl5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

2.3 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₀O₃
Molecular Weight	306.4 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	306.21949481 g/mol
Monoisotopic Mass	306.21949481 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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China

Digital Content

2,5-Dimethylphenol

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URL Supplier Web Content

CAS Number

95-87-4

End Use API

Gemfibrozil

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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