2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
TL;DR: 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid (CAS 35819-72-8) is a chemical compound with molecular formula C11H11N3O8 and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Also Known As: n-acetyl-3,5-dinitrotyrosine, N-Acetyl-3,5-dinitro-l-tyrosine, NCIOpen2_009100, 3,5-DINITROACETYL-L-TYROSINE, 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
| Molecular Formula | C11H11N3O8 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.05463 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 35819-72-8 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O |
| InChIKey | CFKZKLOBRPCKTF-UHFFFAOYSA-N |
Product Overview
2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid (CAS 35819-72-8), with molecular formula C11H11N3O8 and molecular weight 313.05 g/mol. IUPAC: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid.
Chemical Property Profile of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Property Insights of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid. The TPSA of 178.0 Ų indicates high polarity, suggesting 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid has 3 hydrogen bond donor(s) and 8 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-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid?
The CAS number of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid is 35819-72-8.
What is the molecular formula of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid?
The molecular formula of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid is C11H11N3O8.
What is the molecular weight of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid?
The molecular weight of 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid is 313.05 g/mol.
Where can I buy 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid?
You can request a quote for 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.