BAS 06900469
TL;DR: BAS 06900469 (CAS 488732-74-7) is a chemical compound with molecular formula C22H19F2N3O3S2 and molecular weight 475.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: BAS 06900469, ethyl 5-cyano-6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-((2-((3,4-difluorophenyl)amino)-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-({2-[(3,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 6-{[N-(3,4-difluorophenyl)carbamoyl]methylthio}-5-cyano-2-methyl-4-(2-th ienyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H19F2N3O3S2 |
|---|---|
| Molecular Weight | 475.08 g/mol |
| LogP | 4.65728 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.0836 |
| Heavy Atoms | 32 |
| Complexity | 1137.7849 |
Chemical Identifiers
| CAS Number | 488732-74-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=CC(=C(C=C3)F)F)C |
Product Overview
BAS 06900469 (CAS 488732-74-7), with molecular formula C22H19F2N3O3S2 and molecular weight 475.08 g/mol. IUPAC: ethyl 5-cyano-6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of BAS 06900469
Property Insights of BAS 06900469
The XLogP value of 4.65728 indicates that BAS 06900469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900469. Following Lipinski's Rule of Five, BAS 06900469 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 06900469?
The CAS number of BAS 06900469 is 488732-74-7.
What is the molecular formula of BAS 06900469?
The molecular formula of BAS 06900469 is C22H19F2N3O3S2.
What is the molecular weight of BAS 06900469?
The molecular weight of BAS 06900469 is 475.08 g/mol.
Where can I buy BAS 06900469?
You can request a quote for BAS 06900469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900469?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.