![cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate structure](/static/products/819/819835-53-5.png)
cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
TL;DR: cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate (CAS 819835-53-5) is a chemical compound with molecular formula C11H18N4O2S and molecular weight 270.12 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]propanoate
Also Known As: BAS 11300818, cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate, AS-871/43475516, cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate, cyclohexyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)propanoate
| Molecular Formula | C11H18N4O2S |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 1.7434 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.11505 |
| Heavy Atoms | 18 |
| Complexity | 403.5024 |
Chemical Identifiers
| CAS Number | 819835-53-5 |
|---|---|
| SMILES | CC(C(=O)OC1CCCCC1)SC2=NNC(=N2)N |
Product Overview
cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate (CAS 819835-53-5), with molecular formula C11H18N4O2S and molecular weight 270.12 g/mol. IUPAC: cyclohexyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate.
Chemical Property Profile of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Property Insights of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
The XLogP value of 1.7434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate. Following Lipinski's Rule of Five, cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate 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-yl)sulfanyl]propanoate?
The CAS number of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate is 819835-53-5.
What is the molecular formula of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate?
The molecular formula of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate is C11H18N4O2S.
What is the molecular weight of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate?
The molecular weight of cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate is 270.12 g/mol.
Where can I buy cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate?
You can request a quote for cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate 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-yl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for cyclohexyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.