4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate
TL;DR: 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate (CAS 478256-22-3) 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.
[2-methoxy-4-[(E)-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
Also Known As: Salor-int l231002-1ea, 2-Methoxy-4-(((5-thioxo-3-(m-tolyl)-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)phenyl acetate, 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate, (E)-4-(((3-mercapto-5-(m-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate, [2-methoxy-4-[(E)-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.73221 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 1068.8119 |
Chemical Identifiers
| CAS Number | 478256-22-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OC(=O)C)OC |
Product Overview
4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate (CAS 478256-22-3), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: [2-methoxy-4-[(E)-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate.
Chemical Property Profile of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate
Property Insights of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate
The XLogP value of 3.73221 indicates that 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate 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 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate. Following Lipinski's Rule of Five, 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate 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 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate?
The CAS number of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate is 478256-22-3.
What is the molecular formula of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate?
The molecular formula of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate is C19H18N4O3S.
What is the molecular weight of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate?
The molecular weight of 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate is 382.11 g/mol.
Where can I buy 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate?
You can request a quote for 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-Mercapto-5-(3-ME-PH)-4H-1,2,4-triazol-4-YL)imino)ME)-2-meo-phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.