4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate
TL;DR: 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate (CAS 575469-95-3) is a chemical compound with molecular formula C18H15FN4O3S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[3-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenyl] acetate
Also Known As: 4-(((3-(2-Fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)-2-methoxyphenyl acetate, 4-(((3-(2-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-METHOXY-PH ACETATE, (E)-4-(((3-(2-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate, [4-[(E)-[3-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenyl] acetate, 4-[(E)-{[3-(2-fluorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenyl acetate
| Molecular Formula | C18H15FN4O3S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.56289 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0849 |
| Heavy Atoms | 27 |
| Complexity | 1074.4639 |
Chemical Identifiers
| CAS Number | 575469-95-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F)OC |
Product Overview
4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate (CAS 575469-95-3), with molecular formula C18H15FN4O3S and molecular weight 386.08 g/mol. IUPAC: [4-[(E)-[3-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate
Property Insights of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate
The XLogP value of 3.56289 indicates that 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH 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-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate. Following Lipinski's Rule of Five, 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH 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-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate?
The CAS number of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate is 575469-95-3.
What is the molecular formula of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate?
The molecular formula of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate is C18H15FN4O3S.
What is the molecular weight of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate?
The molecular weight of 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate is 386.08 g/mol.
Where can I buy 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate?
You can request a quote for 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH 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-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-(2-F-PH)-5-Mercapto-4H-1,2,4-triazol-4-YL)imino)ME)-2-methoxy-PH acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.