![methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate structure](/static/products/4208/420840-93-3.webp)
methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
TL;DR: methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate (CAS 420840-93-3) is a chemical compound with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Also Known As: methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate, (E)-methyl 4-(((3-mercapto-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoate, methyl 4-((E)-{[3-mercapto-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate, methyl 4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
| Molecular Formula | C18H16N4O3S |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 3.28509 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.0943 |
| Heavy Atoms | 26 |
| Complexity | 988.5257 |
Chemical Identifiers
| CAS Number | 420840-93-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate (CAS 420840-93-3), with molecular formula C18H16N4O3S and molecular weight 368.09 g/mol. IUPAC: methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Property Insights of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
The XLogP value of 3.28509 indicates that methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate has 1 hydrogen bond donor(s) and 6 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 methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate?
The CAS number of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is 420840-93-3.
What is the molecular formula of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate?
The molecular formula of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is C18H16N4O3S.
What is the molecular weight of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate?
The molecular weight of methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is 368.09 g/mol.
Where can I buy methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate?
You can request a quote for methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.