AR-196/42726991
TL;DR: AR-196/42726991 (CAS 701290-62-2) is a chemical compound with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: AR-196/42726991, N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-2-(4-methoxyphenyl)acetamide, N-[[5-[[(4-Bromophenyl)methyl]thio]-4-ethyl-4H-1,2,4-triazol-3-yl]methyl]-4-methoxybenzeneacetamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide, N-[(5-{[(4-Bromophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C21H23BrN4O2S |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 4.2203 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.0725 |
| Heavy Atoms | 29 |
| Complexity | 942.3199 |
Chemical Identifiers
| CAS Number | 701290-62-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
AR-196/42726991 (CAS 701290-62-2), with molecular formula C21H23BrN4O2S and molecular weight 474.07 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AR-196/42726991
Property Insights of AR-196/42726991
The XLogP value of 4.2203 indicates that AR-196/42726991 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 AR-196/42726991. Following Lipinski's Rule of Five, AR-196/42726991 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 AR-196/42726991?
The CAS number of AR-196/42726991 is 701290-62-2.
What is the molecular formula of AR-196/42726991?
The molecular formula of AR-196/42726991 is C21H23BrN4O2S.
What is the molecular weight of AR-196/42726991?
The molecular weight of AR-196/42726991 is 474.07 g/mol.
Where can I buy AR-196/42726991?
You can request a quote for AR-196/42726991 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-196/42726991?
Yes, KEHONG BIO provides custom synthesis services for AR-196/42726991 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.