2-(Benzylsulfonylamino)-3-phenylpropanoic acid
TL;DR: 2-(Benzylsulfonylamino)-3-phenylpropanoic acid (CAS 7469-31-0) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfonylamino)-3-phenylpropanoic acid
Also Known As: 2-(benzylsulfonylamino)-3-phenylpropanoic acid, N-(Phenylmethanesulfonyl)phenylalanine, 2-[(BENZYLSULFONYL)AMINO]-3-PHENYLPROPANOIC ACID, 3-phenyl-2-{[benzylsulfonyl]amino}propanoic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 7469-31-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | ICFOBMSVJMGIMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylsulfonylamino)-3-phenylpropanoic acid (CAS 7469-31-0), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-(benzylsulfonylamino)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid
Property Insights of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfonylamino)-3-phenylpropanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfonylamino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(Benzylsulfonylamino)-3-phenylpropanoic acid has 2 hydrogen bond donor(s) and 5 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 2-(Benzylsulfonylamino)-3-phenylpropanoic acid?
The CAS number of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid is 7469-31-0.
What is the molecular formula of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid?
The molecular formula of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid is C16H17NO4S.
What is the molecular weight of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid?
The molecular weight of 2-(Benzylsulfonylamino)-3-phenylpropanoic acid is 319.09 g/mol.
Where can I buy 2-(Benzylsulfonylamino)-3-phenylpropanoic acid?
You can request a quote for 2-(Benzylsulfonylamino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfonylamino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfonylamino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.