1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine
TL;DR: 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine (CAS 2181-21-7) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylidene-1-(4-methylphenyl)sulfonylpiperidine
Also Known As: 1-Tosyl-4-methylenepiperidine, 4-methylene-1-tosylpiperidine, 1-(4-methylbenzenesulfonyl)-4-methylidenepiperidine, 1-(4-Methylphenylsulfonyl)-4-methylenepiperidine, 4-methylidene-1-(4-methylphenyl)sulfonylpiperidine
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.33572 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 506.85538 |
Chemical Identifiers
| CAS Number | 2181-21-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C)CC2 |
Product Overview
1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine (CAS 2181-21-7), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: 4-methylidene-1-(4-methylphenyl)sulfonylpiperidine.
Chemical Property Profile of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine
Property Insights of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine
The XLogP value of 2.33572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine. With a topological polar surface area (TPSA) of 37.38 Ų, 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine has 0 hydrogen bond donor(s) and 2 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-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine?
The CAS number of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine is 2181-21-7.
What is the molecular formula of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine?
The molecular formula of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine is C13H17NO2S.
What is the molecular weight of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine?
The molecular weight of 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine is 251.10 g/mol.
Where can I buy 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine?
You can request a quote for 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzenesulfonyl)-4-methylidenepiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.