![2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone structure](/static/products/5560/556027-33-9.webp)
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CAS 556027-33-9) is a chemical compound with molecular formula C14H18N6OS and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(5-Amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one, 5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-1H-1,2,4-triazol-3-amine
| Molecular Formula | C14H18N6OS |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 0.8278 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.12628 |
| Heavy Atoms | 22 |
| Complexity | 623.27313 |
Chemical Identifiers
| CAS Number | 556027-33-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CAS 556027-33-9), with molecular formula C14H18N6OS and molecular weight 318.13 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 0.8278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is 556027-33-9.
What is the molecular formula of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is C14H18N6OS.
What is the molecular weight of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is 318.13 g/mol.
Where can I buy 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.