1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid
TL;DR: 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid (CAS 377772-91-3) is a chemical compound with molecular formula C12H14BrNO4S and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonylpiperidine-3-carboxylic acid
Also Known As: 1-(4-bromobenzenesulfonyl)piperidine-3-carboxylic acid, 1-[(4-bromophenyl)sulfonyl]piperidine-3-carboxylic acid, 1-(4-bromophenyl)sulfonylpiperidine-3-carboxylic acid, 1-(4-Bromo-benzenesulfonyl)-piperidine-3-carboxylic acid, 1-(4-bromobenzenesulfonyl)piperidine-3-carboxylicacid
| Molecular Formula | C12H14BrNO4S |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 1.9344 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.9827 |
| Heavy Atoms | 19 |
| Complexity | 569.8971 |
Chemical Identifiers
| CAS Number | 377772-91-3 |
|---|---|
| SMILES | C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid (CAS 377772-91-3), with molecular formula C12H14BrNO4S and molecular weight 346.98 g/mol. IUPAC: 1-(4-bromophenyl)sulfonylpiperidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid
Property Insights of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid
The XLogP value of 1.9344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Bromobenzenesulfonyl)piperidine-3-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-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid?
The CAS number of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid is 377772-91-3.
What is the molecular formula of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid?
The molecular formula of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid is C12H14BrNO4S.
What is the molecular weight of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid?
The molecular weight of 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid is 346.98 g/mol.
Where can I buy 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid?
You can request a quote for 1-(4-Bromobenzenesulfonyl)piperidine-3-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-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzenesulfonyl)piperidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.