RefChem:353241
TL;DR: RefChem:353241 (CAS 956392-54-4) is a chemical compound with molecular formula C9H9F3N6O2S and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate
Also Known As: methyl 1-({[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate, methyl 1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate, methyl 1-(((4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-pyrazole-3-carboxylate, 1-(4-Amino-5-trifluoromethyl-4 H -[1,2,4]triazol-3-ylsulfanylmethyl)-1 H -pyrazole-3-carboxylic acid methyl ester, Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate
| Molecular Formula | C9H9F3N6O2S |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 0.7436 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.046 |
| Heavy Atoms | 21 |
| Complexity | 652.1939 |
Chemical Identifiers
| CAS Number | 956392-54-4 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)CSC2=NN=C(N2N)C(F)(F)F |
Product Overview
RefChem:353241 (CAS 956392-54-4), with molecular formula C9H9F3N6O2S and molecular weight 322.05 g/mol. IUPAC: methyl 1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:353241
Property Insights of RefChem:353241
The XLogP value of 0.7436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:353241. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:353241. Following Lipinski's Rule of Five, RefChem:353241 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 RefChem:353241?
The CAS number of RefChem:353241 is 956392-54-4.
What is the molecular formula of RefChem:353241?
The molecular formula of RefChem:353241 is C9H9F3N6O2S.
What is the molecular weight of RefChem:353241?
The molecular weight of RefChem:353241 is 322.05 g/mol.
Where can I buy RefChem:353241?
You can request a quote for RefChem:353241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:353241?
Yes, KEHONG BIO provides custom synthesis services for RefChem:353241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.