4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid
TL;DR: 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid (CAS 443741-75-1) is a chemical compound with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: BAS 02070368, 4-(((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid, 4-({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid, 4-(((5-(4-CL-PH)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ME)BENZOIC ACID, 4-({[5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-
| Molecular Formula | C23H18ClN3O2S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 5.88662 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.0808 |
| Heavy Atoms | 30 |
| Complexity | 1170.8112 |
Chemical Identifiers
| CAS Number | 443741-75-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl |
Product Overview
4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid (CAS 443741-75-1), with molecular formula C23H18ClN3O2S and molecular weight 435.08 g/mol. IUPAC: 4-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid
Property Insights of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid
The XLogP value of 5.88662 indicates that 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic 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 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid. Following Lipinski's Rule of Five, 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid?
The CAS number of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid is 443741-75-1.
What is the molecular formula of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid?
The molecular formula of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid is C23H18ClN3O2S.
What is the molecular weight of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid?
The molecular weight of 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid is 435.08 g/mol.
Where can I buy 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid?
You can request a quote for 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)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-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((5-(4-CL-PH)-4-(4-Methylphenyl)-4H-1,2,4-triazol-3-YL)thio)ME)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.