BAS 05594715
TL;DR: BAS 05594715 (CAS 684238-01-5) is a chemical compound with molecular formula C21H17ClFN3O3S and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: BAS 05594715, N-(3-chloro-4-methoxyphenyl)-2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(3-chloro-4-methoxyphenyl)-2-((3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
| Molecular Formula | C21H17ClFN3O3S |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 4.19828 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0663 |
| Heavy Atoms | 30 |
| Complexity | 1067.7024 |
Chemical Identifiers
| CAS Number | 684238-01-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CC=C3F)C#N)Cl |
Product Overview
BAS 05594715 (CAS 684238-01-5), with molecular formula C21H17ClFN3O3S and molecular weight 445.07 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 05594715
Property Insights of BAS 05594715
The XLogP value of 4.19828 indicates that BAS 05594715 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 05594715. Following Lipinski's Rule of Five, BAS 05594715 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 05594715?
The CAS number of BAS 05594715 is 684238-01-5.
What is the molecular formula of BAS 05594715?
The molecular formula of BAS 05594715 is C21H17ClFN3O3S.
What is the molecular weight of BAS 05594715?
The molecular weight of BAS 05594715 is 445.07 g/mol.
Where can I buy BAS 05594715?
You can request a quote for BAS 05594715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05594715?
Yes, KEHONG BIO provides custom synthesis services for BAS 05594715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.