cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate
TL;DR: cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate (CAS 692749-91-0) is a chemical compound with molecular formula C10H16N4O2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate, AS-871/43239446, cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, cyclohexyl2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C10H16N4O2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0994 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 692749-91-0 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CSC2=NNC(=N2)N |
| InChIKey | FMYYSFCYXAUBKH-UHFFFAOYSA-N |
Product Overview
cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate (CAS 692749-91-0), with molecular formula C10H16N4O2S and molecular weight 256.10 g/mol. IUPAC: cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate
Property Insights of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate has 2 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 cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate?
The CAS number of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate is 692749-91-0.
What is the molecular formula of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate is C10H16N4O2S.
What is the molecular weight of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate is 256.10 g/mol.
Where can I buy cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.