BAS 11178584
TL;DR: BAS 11178584 (CAS 799772-90-0) is a chemical compound with molecular formula C19H20ClN3O4S and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: BAS 11178584, VU0507409-1, 2-methoxyethyl 6-((2-amino-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, F3009-0625, 2-methoxyethyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C19H20ClN3O4S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 2.44408 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 421.0863 |
| Heavy Atoms | 28 |
| Complexity | 876.17487 |
Chemical Identifiers
| CAS Number | 799772-90-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)OCCOC |
Product Overview
BAS 11178584 (CAS 799772-90-0), with molecular formula C19H20ClN3O4S and molecular weight 421.09 g/mol. IUPAC: 2-methoxyethyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of BAS 11178584
Property Insights of BAS 11178584
The XLogP value of 2.44408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11178584. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11178584. Following Lipinski's Rule of Five, BAS 11178584 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 11178584?
The CAS number of BAS 11178584 is 799772-90-0.
What is the molecular formula of BAS 11178584?
The molecular formula of BAS 11178584 is C19H20ClN3O4S.
What is the molecular weight of BAS 11178584?
The molecular weight of BAS 11178584 is 421.09 g/mol.
Where can I buy BAS 11178584?
You can request a quote for BAS 11178584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11178584?
Yes, KEHONG BIO provides custom synthesis services for BAS 11178584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.