4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE
TL;DR: 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE (CAS 430448-89-8) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethoxy-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate
Also Known As: 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE, 4-{[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2,6-dimethoxyphenyl acetate, (E)-4-(((3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate, [2,6-dimethoxy-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate, 2,6-dimethoxy-4-{(E)-[(3-phenyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl acetate
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 3.43239 |
| Topological Polar Surface Area | 90.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 1048.0328 |
Chemical Identifiers
| CAS Number | 430448-89-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)OC |
Product Overview
4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE (CAS 430448-89-8), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] acetate.
Chemical Property Profile of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE
Property Insights of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE
The XLogP value of 3.43239 indicates that 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE. Following Lipinski's Rule of Five, 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE has 1 hydrogen bond donor(s) and 7 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-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE?
The CAS number of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE is 430448-89-8.
What is the molecular formula of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE?
The molecular formula of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE is C19H18N4O4S.
What is the molecular weight of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE?
The molecular weight of 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE is 398.10 g/mol.
Where can I buy 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE?
You can request a quote for 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL 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-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-MERCAPTO-5-PH-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2,6-DIMETHOXYPHENYL ACETATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.