BAS 05594576
TL;DR: BAS 05594576 (CAS 684237-83-0) is a chemical compound with molecular formula C18H14FN3O3S and molecular weight 371.07 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-fluorophenyl)acetamide
Also Known As: BAS 05594576, F1461-0427, 2-((3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-{[3-cyano-4-(furan-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C18H14FN3O3S |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 3.12928 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.074 |
| Heavy Atoms | 26 |
| Complexity | 885.4052 |
Chemical Identifiers
| CAS Number | 684237-83-0 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CO3 |
Product Overview
BAS 05594576 (CAS 684237-83-0), with molecular formula C18H14FN3O3S and molecular weight 371.07 g/mol. IUPAC: 2-[[5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of BAS 05594576
Property Insights of BAS 05594576
The XLogP value of 3.12928 indicates that BAS 05594576 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 05594576. Following Lipinski's Rule of Five, BAS 05594576 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 05594576?
The CAS number of BAS 05594576 is 684237-83-0.
What is the molecular formula of BAS 05594576?
The molecular formula of BAS 05594576 is C18H14FN3O3S.
What is the molecular weight of BAS 05594576?
The molecular weight of BAS 05594576 is 371.07 g/mol.
Where can I buy BAS 05594576?
You can request a quote for BAS 05594576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594576?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.