CAS 148870-57-9

Chemistry, 1 End Use API, 20 Related Intermediates

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Also known as: 148870-57-9, 3-(3-iodopropyl)-7,8-dimethoxy-1h-benzo[d]azepin-2(3h)-one, 1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2h-3-benzazepin-2-one, 3-(3-iodopropyl)-7,8-dimethoxy-1h-3-benzazepin-2-one, Mfcd09955403, 3-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-one

Molecular Formula

C₁₅H₁₈INO₃

Molecular Weight

387.21 g/mol

InChI Key

VWPSZWNLEFZFQB-UHFFFAOYSA-N

1 2D Structure

CAS 148870-57-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3-iodopropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one

2.1.2 InChI

InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3

2.1.3 InChI Key

VWPSZWNLEFZFQB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCI)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 148870-57-9

2. 3-(3-iodopropyl)-7,8-dimethoxy-1h-benzo[d]azepin-2(3h)-one

3. 1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2h-3-benzazepin-2-one

4. 3-(3-iodopropyl)-7,8-dimethoxy-1h-3-benzazepin-2-one

5. Mfcd09955403

6. 3-(3-iodopropyl)-7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-one

7. 7,8-dimethoxy-3-[3-iodopropyl]-1,3-dihydro-2h-3-benzazepin-2-one

8. Schembl2820668

9. Dtxsid10597996

10. Ac4364

11. Bbl031649

12. Stl373038

13. Zinc22007302

14. Akos015899939

15. Ds-13676

16. Sy041368

17. Db-024693

18. Cs-0150548

19. Ft-0726528

20. A884322

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈INO₃
Molecular Weight	387.21 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	387.03314 g/mol
Monoisotopic Mass	387.03314 g/mol
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	361
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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CAS Number

148870-57-9

Intermediate Name

7,8-Dimethoxy-3-(3-iodopropyl)-1,3-...

About the Company

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...

Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!

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