![4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid structure](/static/products/6201/620103-72-2.webp)
4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid
TL;DR: 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid (CAS 620103-72-2) is a chemical compound with molecular formula C19H21NO4S and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperidin-1-yl)sulfonylbenzoic acid
Also Known As: 4-{[4-benzylpiperidyl]sulfonyl}benzoic acid, 4-(4-benzylpiperidin-1-yl)sulfonylbenzoic acid, 4-((4-benzylpiperidin-1-yl)sulfonyl)benzoic acid, 4-[(4-benzyl-1-piperidinyl)sulfonyl]benzoic acid, VU0489653-1
| Molecular Formula | C19H21NO4S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 3.0282 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.11914 |
| Heavy Atoms | 25 |
| Complexity | 823.4876 |
Chemical Identifiers
| CAS Number | 620103-72-2 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid (CAS 620103-72-2), with molecular formula C19H21NO4S and molecular weight 359.12 g/mol. IUPAC: 4-(4-benzylpiperidin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid
Property Insights of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid
The XLogP value of 3.0282 indicates that 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[4-Benzylpiperidyl]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-{[4-Benzylpiperidyl]sulfonyl}benzoic acid?
The CAS number of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid is 620103-72-2.
What is the molecular formula of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid?
The molecular formula of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid is C19H21NO4S.
What is the molecular weight of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid?
The molecular weight of 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid is 359.12 g/mol.
Where can I buy 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid?
You can request a quote for 4-{[4-Benzylpiperidyl]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-{[4-Benzylpiperidyl]sulfonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-Benzylpiperidyl]sulfonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.