![trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid structure](/static/products/3708/37087-96-0.webp)
trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid
TL;DR: trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid (CAS 37087-96-0) is a chemical compound with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid
Also Known As: Tibric acid, EINECS 253-345-6, trans-2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid, 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid, trans-2-Chloro-5-((3,5-dimethylpiperidin-1-yl)sulphonyl)benzoic acid
| Molecular Formula | C14H18ClNO4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 2.7048 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0645 |
| Heavy Atoms | 21 |
| Complexity | 648.93787 |
Chemical Identifiers
| CAS Number | 37087-96-0 |
|---|---|
| SMILES | C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O)C |
Product Overview
trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid (CAS 37087-96-0), with molecular formula C14H18ClNO4S and molecular weight 331.06 g/mol. IUPAC: 2-chloro-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid.
Chemical Property Profile of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid
Property Insights of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid
The XLogP value of 2.7048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid. Following Lipinski's Rule of Five, trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]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 trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid?
The CAS number of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid is 37087-96-0.
What is the molecular formula of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid?
The molecular formula of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid is C14H18ClNO4S.
What is the molecular weight of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid?
The molecular weight of trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid is 331.06 g/mol.
Where can I buy trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid?
You can request a quote for trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.