BAS 05594586
TL;DR: BAS 05594586 (CAS 684237-84-1) is a chemical compound with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: BAS 05594586, 2-((3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, F1461-0435, 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C21H18FN3O3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.54488 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.1053 |
| Heavy Atoms | 29 |
| Complexity | 998.9761 |
Chemical Identifiers
| CAS Number | 684237-84-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)F)C#N |
Product Overview
BAS 05594586 (CAS 684237-84-1), with molecular formula C21H18FN3O3S and molecular weight 411.11 g/mol. IUPAC: 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 05594586
Property Insights of BAS 05594586
The XLogP value of 3.54488 indicates that BAS 05594586 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 05594586. Following Lipinski's Rule of Five, BAS 05594586 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 05594586?
The CAS number of BAS 05594586 is 684237-84-1.
What is the molecular formula of BAS 05594586?
The molecular formula of BAS 05594586 is C21H18FN3O3S.
What is the molecular weight of BAS 05594586?
The molecular weight of BAS 05594586 is 411.11 g/mol.
Where can I buy BAS 05594586?
You can request a quote for BAS 05594586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594586?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.