2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid
TL;DR: 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid (CAS 53877-30-8) is a chemical compound with molecular formula C12H13Cl2NO4S and molecular weight 336.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-5-piperidin-1-ylsulfonylbenzoic acid
Also Known As: 2,4-dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid, 2,4-dichloro-5-(piperidine-1-sulfonyl)benzoic acid, BAS 00604122, 2,4-Dichloro-5-(1-piperidylsulfonyl)benzoic acid, 2,4-dichloro-5-piperidin-1-ylsulfonylbenzoic acid
| Molecular Formula | C12H13Cl2NO4S |
|---|---|
| Molecular Weight | 336.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.99423 |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 53877-30-8 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl |
| InChIKey | WMSIRTDPQHCVPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid (CAS 53877-30-8), with molecular formula C12H13Cl2NO4S and molecular weight 336.99 g/mol. IUPAC: 2,4-dichloro-5-piperidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid
Property Insights of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)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 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid?
The CAS number of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid is 53877-30-8.
What is the molecular formula of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid?
The molecular formula of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid is C12H13Cl2NO4S.
What is the molecular weight of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid?
The molecular weight of 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid is 336.99 g/mol.
Where can I buy 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid?
You can request a quote for 2,4-Dichloro-5-(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 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-5-(piperidin-1-ylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.