![4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid structure](/static/products/7011/70111-46-5.webp)
4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid
TL;DR: 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 70111-46-5) 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.
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
Also Known As: 4-[(3-methylpiperidin-1-yl)sulfonyl]benzoic acid, 4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid, BAS 05063557, 4-(3-Methylpiperidine-1-sulfonyl)benzoic acid, 4-[(3-methylpiperidyl)sulfonyl]benzoic acid
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.8054 |
| 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 | 564.8109 |
Chemical Identifiers
| CAS Number | 70111-46-5 |
|---|---|
| SMILES | CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 70111-46-5), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid
Property Insights of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid
The XLogP value of 1.8054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Methylpiperidin-1-yl)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 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid?
The CAS number of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid is 70111-46-5.
What is the molecular formula of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid?
The molecular formula of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid is C13H17NO4S.
What is the molecular weight of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid?
The molecular weight of 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid is 283.09 g/mol.
Where can I buy 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid?
You can request a quote for 4-[(3-Methylpiperidin-1-yl)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 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Methylpiperidin-1-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.