![N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide structure](/static/products/861/861637-75-4.png)
N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
TL;DR: N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 861637-75-4) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
Also Known As: N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide, N-[3-(3-phenylpropylthio)-1H-1,2,4-triazol-5-yl]acetamide, N-(3-((3-phenylpropyl)thio)-1H-1,2,4-triazol-5-yl)acetamide, N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]ethanamide, N-{5-[(3-phenylpropyl)sulfanyl]-1H-1,2,4-triazol-3-yl}acetamide
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 861637-75-4 |
|---|---|
| SMILES | CC(=O)NC1=NC(=NN1)SCCCC2=CC=CC=C2 |
| InChIKey | JJAUBHJBEBPWNB-UHFFFAOYSA-N |
Product Overview
N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 861637-75-4), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide.
Chemical Property Profile of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
Property Insights of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. Following Lipinski's Rule of Five, N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide has 2 hydrogen bond donor(s) and 4 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 N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The CAS number of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 861637-75-4.
What is the molecular formula of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular formula of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is C13H16N4OS.
What is the molecular weight of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular weight of N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 276.10 g/mol.
Where can I buy N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
You can request a quote for N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.