ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
TL;DR: ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate (CAS 733031-47-5) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Also Known As: AB00722589-01, ME 4-(((3-(3-ETHOXYPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOATE, Methyl 4-(((3-(3-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoate, 657-642-5, methyl 4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.67519 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1021.9341 |
Chemical Identifiers
| CAS Number | 733031-47-5 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate (CAS 733031-47-5), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: methyl 4-[(E)-[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate.
Chemical Property Profile of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
Property Insights of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate
The XLogP value of 3.67519 indicates that ME 4-(((3-(3-Ethoxyphenyl)-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 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate. Following Lipinski's Rule of Five, ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)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 ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The CAS number of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is 733031-47-5.
What is the molecular formula of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The molecular formula of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is C19H18N4O3S.
What is the molecular weight of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
The molecular weight of ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate is 382.11 g/mol.
Where can I buy ME 4-(((3-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
You can request a quote for ME 4-(((3-(3-Ethoxyphenyl)-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-(3-Ethoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)ME)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-(((3-(3-Ethoxyphenyl)-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.