![4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid structure](/static/products/853/853724-86-4.png)
4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid
TL;DR: 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid (CAS 853724-86-4) is a chemical compound with molecular formula C23H18ClN3O3S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid, 4-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid, 4-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]methyl}benzo ic acid
| Molecular Formula | C23H18ClN3O3S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 5.5868 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.07574 |
| Heavy Atoms | 31 |
| Complexity | 1190.4811 |
Chemical Identifiers
| CAS Number | 853724-86-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)C(=O)O |
Product Overview
4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid (CAS 853724-86-4), with molecular formula C23H18ClN3O3S and molecular weight 451.08 g/mol. IUPAC: 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid
Property Insights of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid
The XLogP value of 5.5868 indicates that 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid 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 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid?
The CAS number of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid is 853724-86-4.
What is the molecular formula of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid?
The molecular formula of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid is C23H18ClN3O3S.
What is the molecular weight of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid?
The molecular weight of 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid is 451.08 g/mol.
Where can I buy 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid?
You can request a quote for 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.