BAS 05594572
TL;DR: BAS 05594572 (CAS 797768-18-4) is a chemical compound with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: BAS 05594572, 2-(3-Cyano-4-furan-2-yl-6-oxo-1,4,5,6-tetrahydro-pyridin-2-ylsulfanyl)-N-p-tolyl-acetamide, 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide, 2-[[5-cyano-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(p-tolyl)acetamide, 2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(p-tolyl)acetamide
| Molecular Formula | C19H17N3O3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | 3.2986 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09906 |
| Heavy Atoms | 26 |
| Complexity | 879.75323 |
Chemical Identifiers
| CAS Number | 797768-18-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CO3)C#N |
Product Overview
BAS 05594572 (CAS 797768-18-4), with molecular formula C19H17N3O3S and molecular weight 367.10 g/mol. IUPAC: 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of BAS 05594572
Property Insights of BAS 05594572
The XLogP value of 3.2986 indicates that BAS 05594572 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05594572. Following Lipinski's Rule of Five, BAS 05594572 has 2 hydrogen bond donor(s) and 5 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 05594572?
The CAS number of BAS 05594572 is 797768-18-4.
What is the molecular formula of BAS 05594572?
The molecular formula of BAS 05594572 is C19H17N3O3S.
What is the molecular weight of BAS 05594572?
The molecular weight of BAS 05594572 is 367.10 g/mol.
Where can I buy BAS 05594572?
You can request a quote for BAS 05594572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594572?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.