C9H10F2N6O2S
TL;DR: C9H10F2N6O2S (CAS 956440-79-2) is a chemical compound with molecular formula C9H10F2N6O2S and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[[4-amino-5-(difluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate
Also Known As: methyl 1-({[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate, methyl 1-[[4-amino-5-(difluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate, methyl 1-(((4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-pyrazole-3-carboxylate, 1-(4-Amino-5-difluoromethyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-1H-pyrazole-3-carboxylic acid methyl ester, 1-(4-amino-5-difluoromethyl-4h-[1,2,4]triazol-3-ylsulfanylmethyl)-1h-pyrazole-3-carboxylic acid meth
| Molecular Formula | C9H10F2N6O2S |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 0.6624 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0554 |
| Heavy Atoms | 20 |
| Complexity | 613.3547 |
Chemical Identifiers
| CAS Number | 956440-79-2 |
|---|---|
| SMILES | COC(=O)C1=NN(C=C1)CSC2=NN=C(N2N)C(F)F |
Product Overview
C9H10F2N6O2S (CAS 956440-79-2), with molecular formula C9H10F2N6O2S and molecular weight 304.06 g/mol. IUPAC: methyl 1-[[4-amino-5-(difluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-3-carboxylate.
Chemical Property Profile of C9H10F2N6O2S
Property Insights of C9H10F2N6O2S
The XLogP value of 0.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H10F2N6O2S. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H10F2N6O2S. Following Lipinski's Rule of Five, C9H10F2N6O2S 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 C9H10F2N6O2S?
The CAS number of C9H10F2N6O2S is 956440-79-2.
What is the molecular formula of C9H10F2N6O2S?
The molecular formula of C9H10F2N6O2S is C9H10F2N6O2S.
What is the molecular weight of C9H10F2N6O2S?
The molecular weight of C9H10F2N6O2S is 304.06 g/mol.
Where can I buy C9H10F2N6O2S?
You can request a quote for C9H10F2N6O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H10F2N6O2S?
Yes, KEHONG BIO provides custom synthesis services for C9H10F2N6O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.