1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
TL;DR: 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid (CAS 101730-55-6) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
Also Known As: 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid, 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylic acid, 1-besyl-4-phenyl-isonipecotic acid, 4-Piperidinecarboxylic acid, 4-phenyl-1-(phenylsulfonyl)-, 1-Benzolsulfonyl-4-phenyl-piperidin-4-carbonsaeure
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.4937 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 810.612 |
Chemical Identifiers
| CAS Number | 101730-55-6 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid (CAS 101730-55-6), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
Property Insights of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
The XLogP value of 2.4937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid 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-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid?
The CAS number of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid is 101730-55-6.
What is the molecular formula of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid?
The molecular formula of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid is C18H19NO4S.
What is the molecular weight of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid?
The molecular weight of 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid is 345.10 g/mol.
Where can I buy 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid?
You can request a quote for 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.