ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
TL;DR: ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate (CAS 478253-99-5) is a chemical compound with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Also Known As: ME 4-(((3-(2-CHLOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOATE, Methyl 4-(((3-(2-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate, 648-815-6, methyl 4-[(E)-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate, methyl 4-{(1E)-2-[5-(2-chlorophenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azaviny l}benzoate
| Molecular Formula | C17H13ClN4O2S |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 3.92989 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.04477 |
| Heavy Atoms | 25 |
| Complexity | 992.3825 |
Chemical Identifiers
| CAS Number | 478253-99-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl |
Product Overview
ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate (CAS 478253-99-5), with molecular formula C17H13ClN4O2S and molecular weight 372.04 g/mol. IUPAC: methyl 4-[(E)-[3-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate.
Chemical Property Profile of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
Property Insights of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
The XLogP value of 3.92989 indicates that ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate. Following Lipinski's Rule of Five, ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate 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 ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The CAS number of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is 478253-99-5.
What is the molecular formula of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The molecular formula of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is C17H13ClN4O2S.
What is the molecular weight of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The molecular weight of ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is 372.04 g/mol.
Where can I buy ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
You can request a quote for ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-(((3-(2-Chlorophenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.