![2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid structure](/static/products/6450/64501-87-7.webp)
2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid
TL;DR: 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid (CAS 64501-87-7) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
Also Known As: ETHYL CYANOACETATE, N-(4-Nitrophenylsulfonyl)-L-phenylalanine, N-[(4-Nitrophenyl)sulfonyl]phenylalanine, I14-60776, (S)-2-(4-Nitrophenylsulfonamido)-3-phenylpropanoic acid
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 64501-87-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JVHRPLXWZFPXIJ-UHFFFAOYSA-N |
Product Overview
2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid (CAS 64501-87-7), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: 2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid
Property Insights of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid has 2 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 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid?
The CAS number of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid is 64501-87-7.
What is the molecular formula of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid?
The molecular formula of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid is C15H14N2O6S.
What is the molecular weight of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid?
The molecular weight of 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid is 350.06 g/mol.
Where can I buy 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid?
You can request a quote for 2-{[(4-Nitrophenyl)sulfonyl]amino}-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-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Nitrophenyl)sulfonyl]amino}-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.