alpha,4-Dinitrophenylalanine
TL;DR: alpha,4-Dinitrophenylalanine (CAS 49607-21-8) is a chemical compound with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-2-nitro-3-(4-nitrophenyl)propanoic acid
Also Known As: alpha,4-Dinitrophenylalanine, alpha,4-Dinitro-L-phenylalanine, EINECS 256-397-8, (2R)-2-amino-2-nitro-3-(4-nitrophenyl)propanoic acid
| Molecular Formula | C9H9N3O6 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 0.1536 |
| Topological Polar Surface Area | 149.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.04913 |
| Heavy Atoms | 18 |
| Complexity | 483.52936 |
Chemical Identifiers
| CAS Number | 49607-21-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C[C@@](C(=O)O)(N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
alpha,4-Dinitrophenylalanine (CAS 49607-21-8), with molecular formula C9H9N3O6 and molecular weight 255.05 g/mol. IUPAC: (2R)-2-amino-2-nitro-3-(4-nitrophenyl)propanoic acid.
Chemical Property Profile of alpha,4-Dinitrophenylalanine
Property Insights of alpha,4-Dinitrophenylalanine
The XLogP value of 0.1536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,4-Dinitrophenylalanine. The TPSA of 149.6 Ų indicates high polarity, suggesting alpha,4-Dinitrophenylalanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha,4-Dinitrophenylalanine 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 alpha,4-Dinitrophenylalanine?
The CAS number of alpha,4-Dinitrophenylalanine is 49607-21-8.
What is the molecular formula of alpha,4-Dinitrophenylalanine?
The molecular formula of alpha,4-Dinitrophenylalanine is C9H9N3O6.
What is the molecular weight of alpha,4-Dinitrophenylalanine?
The molecular weight of alpha,4-Dinitrophenylalanine is 255.05 g/mol.
Where can I buy alpha,4-Dinitrophenylalanine?
You can request a quote for alpha,4-Dinitrophenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,4-Dinitrophenylalanine?
Yes, KEHONG BIO provides custom synthesis services for alpha,4-Dinitrophenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.