A3613/0153156
TL;DR: A3613/0153156 (CAS 697229-78-0) is a chemical compound with molecular formula C26H23F3N4O2S and molecular weight 512.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: A3613/0153156, N-(4-methoxybenzyl)-2-({4-phenyl-5-[3-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[(4-methoxyphenyl)methyl]-2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-methoxybenzyl)-2-({4-phenyl-5-[3-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
| Molecular Formula | C26H23F3N4O2S |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 5.294 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.14935 |
| Heavy Atoms | 36 |
| Complexity | 1309.0262 |
Chemical Identifiers
| CAS Number | 697229-78-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
A3613/0153156 (CAS 697229-78-0), with molecular formula C26H23F3N4O2S and molecular weight 512.15 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-2-[[4-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of A3613/0153156
Property Insights of A3613/0153156
The XLogP value of 5.294 indicates that A3613/0153156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A3613/0153156. Following Lipinski's Rule of Five, A3613/0153156 has 1 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 A3613/0153156?
The CAS number of A3613/0153156 is 697229-78-0.
What is the molecular formula of A3613/0153156?
The molecular formula of A3613/0153156 is C26H23F3N4O2S.
What is the molecular weight of A3613/0153156?
The molecular weight of A3613/0153156 is 512.15 g/mol.
Where can I buy A3613/0153156?
You can request a quote for A3613/0153156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3613/0153156?
Yes, KEHONG BIO provides custom synthesis services for A3613/0153156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.