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CAS 205448-64-2

Chemistry, 1 End Use API, 28 Related Intermediates

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Also known as: 205448-64-2, Methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate, Methyl 4-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino)-2-methoxybenzoate, Benzoic acid, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-2-methoxy-, methyl ester, Methyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-2-methoxybenzoate, 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic acid methyl ester

Molecular Formula

C₁₆H₁₇NO₇

Molecular Weight

335.31 g/mol

InChI Key

FLQIWMCFHBVQGR-UHFFFAOYSA-N

1 2D Structure

CAS 205448-64-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate

2.1.2 InChI

InChI=1S/C16H17NO7/c1-16(2)23-14(19)11(15(20)24-16)8-17-9-5-6-10(13(18)22-4)12(7-9)21-3/h5-8,17H,1-4H3

2.1.3 InChI Key

FLQIWMCFHBVQGR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(OC(=O)C(=CNC2=CC(=C(C=C2)C(=O)OC)OC)C(=O)O1)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 205448-64-2

2. Methyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxybenzoate

3. Methyl 4-((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino)-2-methoxybenzoate

4. Benzoic Acid, 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-2-methoxy-, Methyl Ester

5. Methyl 4-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-2-methoxybenzoate

6. 4-[(2,2-dimethyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-amino]-2-methoxy-benzoic Acid Methyl Ester

7. Schembl6004820

8. C16h17no7

9. Flqiwmcfhbvqgr-uhfffaoysa-n

10. Mfcd26395147

11. Ac-33585

12. Ds-19436

13. Cs-0153776

14. C73891

15. A913146

16. 5-((3-methoxy-4-methoxycarbonylanilino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

17. Methyl4-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-2-methoxybenzoate

18. 4-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene)methyl]amino]-2-methoxybenzoic Acid Methyl Ester

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO₇
Molecular Weight	335.31 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	100
Heavy Atom Count	24
Formal Charge	0
Complexity	533
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

17609-80-2

End Use API

Lenvatinib

About the Company

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, he...

Jinan Xinke Pharmaceutical Science and Technology Co., Ltd. (XKPHARM) is an innovation driven company, headquartered in Jinan city, Shandong province, China and focus on the researching, manufacturing and marketing of high value added APIs and their intermediates. XKPHARM has set up a modern R&D center in High-Tech Industrial Development Zone of Jinan city, which covers over 1000 square meters and owns a professional team. Our R&D center specialized in research and development of cutting-edge information and technology, thus providing a platform for the company's sustainably developing market competition.

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