2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid
TL;DR: 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid (CAS 329908-47-6) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-piperidin-1-ylsulfonylbenzoic acid
Also Known As: 2-methyl-5-(piperidin-1-ylsulfonyl)benzoic acid, 2-methyl-5-(piperidine-1-sulfonyl)benzoic acid, IFLab1_005851, 2-methyl-5-piperidin-1-ylsulfonylbenzoic acid, Benzoic acid, 2-methyl-5-(1-piperidinylsulfonyl)-
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.86782 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 588.6608 |
Chemical Identifiers
| CAS Number | 329908-47-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)O |
Product Overview
2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid (CAS 329908-47-6), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 2-methyl-5-piperidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid
Property Insights of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid
The XLogP value of 1.86782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-5-(piperidine-1-sulfonyl)benzoic 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 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid?
The CAS number of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid is 329908-47-6.
What is the molecular formula of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid?
The molecular formula of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid is C13H17NO4S.
What is the molecular weight of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid?
The molecular weight of 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid is 283.09 g/mol.
Where can I buy 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid?
You can request a quote for 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(piperidine-1-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.