![N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine structure](/static/products/6136/613657-34-4.webp)
N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine
TL;DR: N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine (CAS 613657-34-4) is a chemical compound with molecular formula C9H9ClFNO4S and molecular weight 280.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
Also Known As: 3-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}propanoic acid, 3-((3-chloro-4-fluorophenyl)sulfonamido)propanoic acid, 3-(3-chloro-4-fluorobenzenesulfonamido)propanoic acid, N-[(3-chloro-4-fluorophenyl)sulfonyl]-beta-alanine, 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
| Molecular Formula | C9H9ClFNO4S |
|---|---|
| Molecular Weight | 280.99 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.9925 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 613657-34-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)NCCC(=O)O)Cl)F |
| InChIKey | QWDZIHCJRBNTMS-UHFFFAOYSA-N |
Product Overview
N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine (CAS 613657-34-4), with molecular formula C9H9ClFNO4S and molecular weight 280.99 g/mol. IUPAC: 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine
Property Insights of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine. Following Lipinski's Rule of Five, N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine has 2 hydrogen bond donor(s) and 6 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 N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine?
The CAS number of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine is 613657-34-4.
What is the molecular formula of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine?
The molecular formula of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine is C9H9ClFNO4S.
What is the molecular weight of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine?
The molecular weight of N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine is 280.99 g/mol.
Where can I buy N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine?
You can request a quote for N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-Chloro-4-fluorophenyl)sulfonyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.