3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid
TL;DR: 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid (CAS 794584-37-5) is a chemical compound with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl-(2,6-dichlorophenyl)sulfonylamino]propanoic acid
Also Known As: 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid, 3-[benzyl-(2,6-dichlorophenyl)sulfonylamino]propanoic acid, 3-{benzyl[(2,6-dichlorophenyl)sulfonyl]amino}propanoic acid, 3-[benzyl-(2,6-dichlorophenyl)sulfonyl-amino]propanoic Acid, 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoicacid
| Molecular Formula | C16H15Cl2NO4S |
|---|---|
| Molecular Weight | 387.01 g/mol |
| LogP | 3.659 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.0099 |
| Heavy Atoms | 24 |
| Complexity | 804.976 |
Chemical Identifiers
| CAS Number | 794584-37-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC(=O)O)S(=O)(=O)C2=C(C=CC=C2Cl)Cl |
Product Overview
3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid (CAS 794584-37-5), with molecular formula C16H15Cl2NO4S and molecular weight 387.01 g/mol. IUPAC: 3-[benzyl-(2,6-dichlorophenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid
Property Insights of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid
The XLogP value of 3.659 indicates that 3-(N-benzyl2,6-dichlorobenzenesulfonamido)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-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, 3-(N-benzyl2,6-dichlorobenzenesulfonamido)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-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid?
The CAS number of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid is 794584-37-5.
What is the molecular formula of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid?
The molecular formula of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid is C16H15Cl2NO4S.
What is the molecular weight of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid?
The molecular weight of 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid is 387.01 g/mol.
Where can I buy 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid?
You can request a quote for 3-(N-benzyl2,6-dichlorobenzenesulfonamido)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-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-benzyl2,6-dichlorobenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.