4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid
TL;DR: 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid (CAS 299181-45-6) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-piperidin-1-ylsulfonylbenzoic acid
Also Known As: BAS 00604128, 4-methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid, 4-Methoxy-3-(piperidine-1-sulfonyl)-benzoic acid, 4-methoxy-3-piperidin-1-ylsulfonylbenzoic acid, AB00080661-01
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 299181-45-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCC2 |
| InChIKey | UOFHPQYOIKEMRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid (CAS 299181-45-6), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: 4-methoxy-3-piperidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid
Property Insights of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 6 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-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid?
The CAS number of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid is 299181-45-6.
What is the molecular formula of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid?
The molecular formula of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid is C13H17NO5S.
What is the molecular weight of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid?
The molecular weight of 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid is 299.08 g/mol.
Where can I buy 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid?
You can request a quote for 4-Methoxy-3-(piperidin-1-ylsulfonyl)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-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-(piperidin-1-ylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.