4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid
TL;DR: 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid (CAS 299181-56-9) is a chemical compound with molecular formula C11H12FNO5S and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-morpholin-4-ylsulfonylbenzoic acid
Also Known As: 4-Fluoro-3-(morpholine-4-sulfonyl)-benzoic acid, 4-Fluoro-3-(morpholinosulfonyl)benzoic acid, 4-fluoro-3-(morpholine-4-sulfonyl)benzoic acid, 4-fluoro-3-morpholin-4-ylsulfonylbenzoic acid, 4-fluoro-3-(morpholin-4-ylsulfonyl)benzoic acid
| Molecular Formula | C11H12FNO5S |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.04202 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 299181-56-9 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F |
| InChIKey | PBBCMQAOJDGANI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid (CAS 299181-56-9), with molecular formula C11H12FNO5S and molecular weight 289.04 g/mol. IUPAC: 4-fluoro-3-morpholin-4-ylsulfonylbenzoic acid.
Chemical Property Profile of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid
Property Insights of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 7 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-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid?
The CAS number of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid is 299181-56-9.
What is the molecular formula of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid?
The molecular formula of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid is C11H12FNO5S.
What is the molecular weight of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid?
The molecular weight of 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid is 289.04 g/mol.
Where can I buy 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid?
You can request a quote for 4-Fluoro-3-(morpholine-4-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-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-(morpholine-4-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.