A3058/0129176
TL;DR: A3058/0129176 (CAS 539809-44-4) is a chemical compound with molecular formula C24H22ClN5OS and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: A3058/0129176, 2-((5-(((3-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide, 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide, 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide, 2-((5-((3-CHLOROANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
| Molecular Formula | C24H22ClN5OS |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 5.57202 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.12335 |
| Heavy Atoms | 32 |
| Complexity | 1212.0073 |
Chemical Identifiers
| CAS Number | 539809-44-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
A3058/0129176 (CAS 539809-44-4), with molecular formula C24H22ClN5OS and molecular weight 463.12 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of A3058/0129176
Property Insights of A3058/0129176
The XLogP value of 5.57202 indicates that A3058/0129176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for A3058/0129176. Following Lipinski's Rule of Five, A3058/0129176 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3058/0129176?
The CAS number of A3058/0129176 is 539809-44-4.
What is the molecular formula of A3058/0129176?
The molecular formula of A3058/0129176 is C24H22ClN5OS.
What is the molecular weight of A3058/0129176?
The molecular weight of A3058/0129176 is 463.12 g/mol.
Where can I buy A3058/0129176?
You can request a quote for A3058/0129176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3058/0129176?
Yes, KEHONG BIO provides custom synthesis services for A3058/0129176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.