BAS 05937651
TL;DR: BAS 05937651 (CAS 613225-85-7) is a chemical compound with molecular formula C21H15ClFN5OS and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: BAS 05937651, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, 2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl )acetamide
| Molecular Formula | C21H15ClFN5OS |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.8526 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.067 |
| Heavy Atoms | 30 |
| Complexity | 1167.7524 |
Chemical Identifiers
| CAS Number | 613225-85-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)F |
Product Overview
BAS 05937651 (CAS 613225-85-7), with molecular formula C21H15ClFN5OS and molecular weight 439.07 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of BAS 05937651
Property Insights of BAS 05937651
The XLogP value of 4.8526 indicates that BAS 05937651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05937651. Following Lipinski's Rule of Five, BAS 05937651 has 1 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 05937651?
The CAS number of BAS 05937651 is 613225-85-7.
What is the molecular formula of BAS 05937651?
The molecular formula of BAS 05937651 is C21H15ClFN5OS.
What is the molecular weight of BAS 05937651?
The molecular weight of BAS 05937651 is 439.07 g/mol.
Where can I buy BAS 05937651?
You can request a quote for BAS 05937651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05937651?
Yes, KEHONG BIO provides custom synthesis services for BAS 05937651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.