2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CAS 489462-40-0) 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-(1-methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-((1-methyl-1H-tetrazol-5-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, Cambridge id 7118548
| Molecular Formula | C14H18N6OS |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 0.651 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.12628 |
| Heavy Atoms | 22 |
| Complexity | 623.27313 |
Chemical Identifiers
| CAS Number | 489462-40-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CAS 489462-40-0), with molecular formula C14H18N6OS and molecular weight 318.13 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 0.651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone has 0 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-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is 489462-40-0.
What is the molecular formula of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is C14H18N6OS.
What is the molecular weight of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is 318.13 g/mol.
Where can I buy 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-(1-Methyltetrazol-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-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.