BAS 05594589
TL;DR: BAS 05594589 (CAS 684237-85-2) 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-(4-methoxyphenyl)acetamide
Also Known As: BAS 05594589, 2-{[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-((3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-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 | 981.7261 |
Chemical Identifiers
| CAS Number | 684237-85-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)F)C#N |
Product Overview
BAS 05594589 (CAS 684237-85-2), 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-(4-methoxyphenyl)acetamide.
Chemical Property Profile of BAS 05594589
Property Insights of BAS 05594589
The XLogP value of 3.54488 indicates that BAS 05594589 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 05594589. Following Lipinski's Rule of Five, BAS 05594589 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 05594589?
The CAS number of BAS 05594589 is 684237-85-2.
What is the molecular formula of BAS 05594589?
The molecular formula of BAS 05594589 is C21H18FN3O3S.
What is the molecular weight of BAS 05594589?
The molecular weight of BAS 05594589 is 411.11 g/mol.
Where can I buy BAS 05594589?
You can request a quote for BAS 05594589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594589?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.