RefChem:353242
TL;DR: RefChem:353242 (CAS 956440-77-0) is a chemical compound with molecular formula C10H14N6O2S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate
Also Known As: methyl 1-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-pyrazole-3-carboxylate, methyl 1-{[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate, 1-(4-Amino-5-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl-methyl)-1H-pyrazole-3-carboxylic acid methyl ester, methyl 1-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate, Methyl 1-[[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrazole-3-carboxylate
| Molecular Formula | C10H14N6O2S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 0.2872 |
| Topological Polar Surface Area | 100.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.0899 |
| Heavy Atoms | 19 |
| Complexity | 578.3369 |
Chemical Identifiers
| CAS Number | 956440-77-0 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCN2C=CC(=N2)C(=O)OC |
Product Overview
RefChem:353242 (CAS 956440-77-0), with molecular formula C10H14N6O2S and molecular weight 282.09 g/mol. IUPAC: methyl 1-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:353242
Property Insights of RefChem:353242
The XLogP value of 0.2872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:353242. The TPSA of 100.85 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:353242. Following Lipinski's Rule of Five, RefChem:353242 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:353242?
The CAS number of RefChem:353242 is 956440-77-0.
What is the molecular formula of RefChem:353242?
The molecular formula of RefChem:353242 is C10H14N6O2S.
What is the molecular weight of RefChem:353242?
The molecular weight of RefChem:353242 is 282.09 g/mol.
Where can I buy RefChem:353242?
You can request a quote for RefChem:353242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:353242?
Yes, KEHONG BIO provides custom synthesis services for RefChem:353242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.