BAS 05594912
TL;DR: BAS 05594912 (CAS 683794-75-4) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: BAS 05594912, F1183-0134, 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide, 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(p-tolyl)acetamide, 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.7228 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1057.4816 |
Chemical Identifiers
| CAS Number | 683794-75-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
BAS 05594912 (CAS 683794-75-4), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of BAS 05594912
Property Insights of BAS 05594912
The XLogP value of 3.7228 indicates that BAS 05594912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05594912. Following Lipinski's Rule of Five, BAS 05594912 has 2 hydrogen bond donor(s) and 6 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 05594912?
The CAS number of BAS 05594912 is 683794-75-4.
What is the molecular formula of BAS 05594912?
The molecular formula of BAS 05594912 is C23H23N3O4S.
What is the molecular weight of BAS 05594912?
The molecular weight of BAS 05594912 is 437.14 g/mol.
Where can I buy BAS 05594912?
You can request a quote for BAS 05594912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594912?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.