RefChem:815796
TL;DR: RefChem:815796 (CAS 467244-92-4) is a chemical compound with molecular formula C12H9F3N4O2S and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Also Known As: Salor-int l445436-1ea, methyl 4-((E)-{[5-thioxo-3-(trifluoromethyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl)benzoate, 645-170-2, Methyl 4-((E)-((5-thioxo-3-(trifluoromethyl)-1,5-dihydro-4H-1,2,4-triazol-4-YL)imino)methyl)benzoate, RefChem:815796
| Molecular Formula | C12H9F3N4O2S |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 2.62829 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.03983 |
| Heavy Atoms | 22 |
| Complexity | 761.91394 |
Chemical Identifiers
| CAS Number | 467244-92-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
RefChem:815796 (CAS 467244-92-4), with molecular formula C12H9F3N4O2S and molecular weight 330.04 g/mol. IUPAC: methyl 4-[(E)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate.
Chemical Property Profile of RefChem:815796
Property Insights of RefChem:815796
The XLogP value of 2.62829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:815796. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:815796. Following Lipinski's Rule of Five, RefChem:815796 has 1 hydrogen bond donor(s) and 5 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 RefChem:815796?
The CAS number of RefChem:815796 is 467244-92-4.
What is the molecular formula of RefChem:815796?
The molecular formula of RefChem:815796 is C12H9F3N4O2S.
What is the molecular weight of RefChem:815796?
The molecular weight of RefChem:815796 is 330.04 g/mol.
Where can I buy RefChem:815796?
You can request a quote for RefChem:815796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:815796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:815796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.