![{[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/3645/364595-08-4.webp)
{[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 364595-08-4) is a chemical compound with molecular formula C16H18BrN3O2S and molecular weight 395.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: TimTec1_004670, AJ-292/40706416, {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-ylthio]acetic acid
| Molecular Formula | C16H18BrN3O2S |
|---|---|
| Molecular Weight | 395.03 g/mol |
| LogP | 4.3895 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.0303 |
| Heavy Atoms | 23 |
| Complexity | 698.38385 |
Chemical Identifiers
| CAS Number | 364595-08-4 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC=CC=C3Br |
Product Overview
{[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 364595-08-4), with molecular formula C16H18BrN3O2S and molecular weight 395.03 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 4.3895 indicates that {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 4 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 {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 364595-08-4.
What is the molecular formula of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C16H18BrN3O2S.
What is the molecular weight of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 395.03 g/mol.
Where can I buy {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[5-(2-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.