N-Acetyl-3,5-dinitro-l-tyrosine
TL;DR: N-Acetyl-3,5-dinitro-l-tyrosine (CAS 9012-31-1) 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.
(2S)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Also Known As: N-Acetyl-3,5-dinitro-l-tyrosine, L-Tyrosine, N-acetyl-3,5-dinitro-, N-(2,4-difluorophenyl)glycine, (2S)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid, Acetyl-3,5-dinitro-L-tyrosine
| Molecular Formula | C11H11N3O8 |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 0.3404 |
| Topological Polar Surface Area | 172.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.05463 |
| Heavy Atoms | 22 |
| Complexity | 621.7324 |
Chemical Identifiers
| CAS Number | 9012-31-1 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O |
Product Overview
N-Acetyl-3,5-dinitro-l-tyrosine (CAS 9012-31-1), with molecular formula C11H11N3O8 and molecular weight 313.05 g/mol. IUPAC: (2S)-2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid.
Chemical Property Profile of N-Acetyl-3,5-dinitro-l-tyrosine
Property Insights of N-Acetyl-3,5-dinitro-l-tyrosine
The XLogP value of 0.3404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-3,5-dinitro-l-tyrosine. The TPSA of 172.91 Ų indicates high polarity, suggesting N-Acetyl-3,5-dinitro-l-tyrosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyl-3,5-dinitro-l-tyrosine has 3 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 N-Acetyl-3,5-dinitro-l-tyrosine?
The CAS number of N-Acetyl-3,5-dinitro-l-tyrosine is 9012-31-1.
What is the molecular formula of N-Acetyl-3,5-dinitro-l-tyrosine?
The molecular formula of N-Acetyl-3,5-dinitro-l-tyrosine is C11H11N3O8.
What is the molecular weight of N-Acetyl-3,5-dinitro-l-tyrosine?
The molecular weight of N-Acetyl-3,5-dinitro-l-tyrosine is 313.05 g/mol.
Where can I buy N-Acetyl-3,5-dinitro-l-tyrosine?
You can request a quote for N-Acetyl-3,5-dinitro-l-tyrosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetyl-3,5-dinitro-l-tyrosine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-3,5-dinitro-l-tyrosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.