3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid
TL;DR: 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid (CAS 794584-40-0) is a chemical compound with molecular formula C16H15ClFNO4S and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl-(4-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
Also Known As: 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid, 3-{benzyl[(4-chloro-2-fluorophenyl)sulfonyl]amino}propanoic acid, 3-[benzyl-(4-chloro-2-fluorophenyl)sulfonylamino]propanoic acid, 3-[benzyl-(4-chloro-2-fluoro-phenyl)sulfonyl-amino]propanoic Acid, 3-(N-benzyl-4-chloro-2-fluorobenzenesulfonamido)propanoic acid
| Molecular Formula | C16H15ClFNO4S |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 3.1447 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.03943 |
| Heavy Atoms | 24 |
| Complexity | 827.226 |
Chemical Identifiers
| CAS Number | 794584-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=C(C=C2)Cl)F |
Product Overview
3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid (CAS 794584-40-0), with molecular formula C16H15ClFNO4S and molecular weight 371.04 g/mol. IUPAC: 3-[benzyl-(4-chloro-2-fluorophenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid
Property Insights of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid
The XLogP value of 3.1447 indicates that 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic 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-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid?
The CAS number of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid is 794584-40-0.
What is the molecular formula of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid?
The molecular formula of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid is C16H15ClFNO4S.
What is the molecular weight of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid?
The molecular weight of 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid is 371.04 g/mol.
Where can I buy 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid?
You can request a quote for 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-benzyl4-chloro-2-fluorobenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.