3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid
TL;DR: 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid (CAS 522652-13-7) is a chemical compound with molecular formula C11H12BrNO4S2 and molecular weight 364.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid
Also Known As: 3-bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid, 3-Bromo-5-(4-thiomorpholinylsulfonyl)benzoic acid, 3-Bromo-5-(thiomorpholinosulfonyl)benzoic acid, 3-bromo-5-thiomorpholin-4-ylsulfonyl-benzoic Acid, 3-BROMO-5-(THIOMORPHOLINE-4-SULFONYL)-BENZOIC ACID
| Molecular Formula | C11H12BrNO4S2 |
|---|---|
| Molecular Weight | 364.94 g/mol |
| LogP | 1.8848 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.93912 |
| Heavy Atoms | 19 |
| Complexity | 596.71277 |
Chemical Identifiers
| CAS Number | 522652-13-7 |
|---|---|
| SMILES | C1CSCCN1S(=O)(=O)C2=CC(=CC(=C2)C(=O)O)Br |
Product Overview
3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid (CAS 522652-13-7), with molecular formula C11H12BrNO4S2 and molecular weight 364.94 g/mol. IUPAC: 3-bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid.
Chemical Property Profile of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid
Property Insights of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid
The XLogP value of 1.8848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid. Following Lipinski's Rule of Five, 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid has 1 hydrogen bond donor(s) and 4 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-thiomorpholin-4-ylsulfonylbenzoic acid?
The CAS number of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid is 522652-13-7.
What is the molecular formula of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid?
The molecular formula of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid is C11H12BrNO4S2.
What is the molecular weight of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid?
The molecular weight of 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid is 364.94 g/mol.
Where can I buy 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid?
You can request a quote for 3-Bromo-5-thiomorpholin-4-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-thiomorpholin-4-ylsulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-thiomorpholin-4-ylsulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.