![4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid structure](/static/products/4187/418790-38-2.webp)
4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
TL;DR: 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 418790-38-2) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoic acid
Also Known As: BIM-0025084.P001, 4-methyl-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid, 4-methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid, 4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoic acid, 4-methyl-3-(4-methyl-piperidine-1-sulfonyl)-benzoic acid
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 418790-38-2 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C |
| InChIKey | JUSRWKCHOORZQC-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 418790-38-2), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: 4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
Property Insights of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid has 1 hydrogen bond donor(s) and 5 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-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid?
The CAS number of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid is 418790-38-2.
What is the molecular formula of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid?
The molecular formula of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid is C14H19NO4S.
What is the molecular weight of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid?
The molecular weight of 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid is 297.10 g/mol.
Where can I buy 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid?
You can request a quote for 4-Methyl-3-[(4-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-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.