N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester
TL;DR: N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester (CAS 29358-99-4) is a chemical compound with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
Also Known As: N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester, 3,5-DINITROACETYL-L-TYROSINE, ETHYL ESTER, ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate, Ethyl 2-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate, Ethyl 2-(acetylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate #
| Molecular Formula | C13H15N3O8 |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.0859 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 29358-99-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])NC(=O)C |
| InChIKey | SJSFXFJUJDOSND-UHFFFAOYSA-N |
Product Overview
N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester (CAS 29358-99-4), with molecular formula C13H15N3O8 and molecular weight 341.09 g/mol. IUPAC: ethyl 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoate.
Chemical Property Profile of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester
Property Insights of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester. The TPSA of 167.0 Ų indicates high polarity, suggesting N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester has 2 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 N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester?
The CAS number of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester is 29358-99-4.
What is the molecular formula of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester?
The molecular formula of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester is C13H15N3O8.
What is the molecular weight of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester?
The molecular weight of N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester is 341.09 g/mol.
Where can I buy N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester?
You can request a quote for N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester 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 ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-3,5-dinitro-L-tyrosine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.