3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid
TL;DR: 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid (CAS 879450-56-3) is a chemical compound with molecular formula C12H14BrNO4S and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-piperidin-1-ylsulfonylbenzoic acid
Also Known As: 3-bromo-5-(1-piperidylsulfonyl)benzoic Acid, 3-BROMO-5-(PIPERIDINE-1-SULFONYL)-BENZOIC ACID, 3-bromo-5-piperidin-1-ylsulfonylbenzoic acid
| Molecular Formula | C12H14BrNO4S |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 2.3219 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.9827 |
| Heavy Atoms | 19 |
| Complexity | 593.747 |
Chemical Identifiers
| CAS Number | 879450-56-3 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br |
Product Overview
3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid (CAS 879450-56-3), with molecular formula C12H14BrNO4S and molecular weight 346.98 g/mol. IUPAC: 3-bromo-5-piperidin-1-ylsulfonylbenzoic acid.
Chemical Property Profile of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid
Property Insights of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid
The XLogP value of 2.3219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid. Following Lipinski's Rule of Five, 3-Bromo-5-piperidin-1-ylsulfonylbenzoic 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 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid?
The CAS number of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid is 879450-56-3.
What is the molecular formula of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid?
The molecular formula of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid is C12H14BrNO4S.
What is the molecular weight of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid?
The molecular weight of 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid is 346.98 g/mol.
Where can I buy 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid?
You can request a quote for 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-piperidin-1-ylsulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.