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2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid
TL;DR: 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid (CAS 5966-53-0) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid
Also Known As: Nps-Phe-OH . DCHA, NPS-PHE-OHDCHA, N-[(2-Nitrophenyl)sulfanyl]phenylalanine, 2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid, Alanine, N-[(o-nitrophenyl)thio]-3-phenyl-, DL-
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 5966-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | JPFBMBJXDGJTDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid (CAS 5966-53-0), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: 2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid
Property Insights of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid 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 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid?
The CAS number of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid is 5966-53-0.
What is the molecular formula of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid?
The molecular formula of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid is C15H14N2O4S.
What is the molecular weight of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid?
The molecular weight of 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid is 318.07 g/mol.
Where can I buy 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid?
You can request a quote for 2-[(2-Nitrophenyl)sulfanylamino]-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-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Nitrophenyl)sulfanylamino]-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.