RefChem:531768
TL;DR: RefChem:531768 (CAS 325994-83-0) is a chemical compound with molecular formula C13H13F3N4O3S and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(trifluoromethyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(TRIFLUOROMETHYL)-4-(((E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE)AMINO)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, 644-697-5, RefChem:531768
| Molecular Formula | C13H13F3N4O3S |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 2.86749 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.06604 |
| Heavy Atoms | 24 |
| Complexity | 788.51886 |
Chemical Identifiers
| CAS Number | 325994-83-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
RefChem:531768 (CAS 325994-83-0), with molecular formula C13H13F3N4O3S and molecular weight 362.07 g/mol. IUPAC: 3-(trifluoromethyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of RefChem:531768
Property Insights of RefChem:531768
The XLogP value of 2.86749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:531768. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:531768. Following Lipinski's Rule of Five, RefChem:531768 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 RefChem:531768?
The CAS number of RefChem:531768 is 325994-83-0.
What is the molecular formula of RefChem:531768?
The molecular formula of RefChem:531768 is C13H13F3N4O3S.
What is the molecular weight of RefChem:531768?
The molecular weight of RefChem:531768 is 362.07 g/mol.
Where can I buy RefChem:531768?
You can request a quote for RefChem:531768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:531768?
Yes, KEHONG BIO provides custom synthesis services for RefChem:531768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.