A3058/0129178
TL;DR: A3058/0129178 (CAS 539809-57-9) is a chemical compound with molecular formula C29H23Cl2N5O2S and molecular weight 575.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: A3058/0129178, 2-({5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE, 2-[(5-{[(3,4-dichlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide, 2-((5-(((3,4-Dichlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide, 2-((5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-PHENOXYPHENYL)ACETAMIDE
| Molecular Formula | C29H23Cl2N5O2S |
|---|---|
| Molecular Weight | 575.10 g/mol |
| LogP | 7.7093 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 575.095 |
| Heavy Atoms | 39 |
| Complexity | 1547.777 |
Chemical Identifiers
| CAS Number | 539809-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CNC5=CC(=C(C=C5)Cl)Cl |
Product Overview
A3058/0129178 (CAS 539809-57-9), with molecular formula C29H23Cl2N5O2S and molecular weight 575.10 g/mol. IUPAC: 2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of A3058/0129178
Property Insights of A3058/0129178
The XLogP value of 7.7093 indicates that A3058/0129178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for A3058/0129178. Following Lipinski's Rule of Five, A3058/0129178 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3058/0129178?
The CAS number of A3058/0129178 is 539809-57-9.
What is the molecular formula of A3058/0129178?
The molecular formula of A3058/0129178 is C29H23Cl2N5O2S.
What is the molecular weight of A3058/0129178?
The molecular weight of A3058/0129178 is 575.10 g/mol.
Where can I buy A3058/0129178?
You can request a quote for A3058/0129178 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3058/0129178?
Yes, KEHONG BIO provides custom synthesis services for A3058/0129178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.