![1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide structure](/static/products/528/528866-75-3.png)
1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide
TL;DR: 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide (CAS 528866-75-3) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
Also Known As: 1-{[(2-methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide, 1-(2-{[(2-methylphenyl)methyl]sulfanyl}acetyl)piperidine-4-carboxamide, 1-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 1.95212 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 510.75336 |
Chemical Identifiers
| CAS Number | 528866-75-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CSCC(=O)N2CCC(CC2)C(=O)N |
Product Overview
1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide (CAS 528866-75-3), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: 1-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxamide.
Chemical Property Profile of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide
Property Insights of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide
The XLogP value of 1.95212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 3 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 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide?
The CAS number of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide is 528866-75-3.
What is the molecular formula of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide?
The molecular formula of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide is C16H22N2O2S.
What is the molecular weight of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide?
The molecular weight of 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide is 306.14 g/mol.
Where can I buy 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide?
You can request a quote for 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-{[(2-Methylbenzyl)sulfanyl]acetyl}piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.