Nitrotyrosine ethyl ester
TL;DR: Nitrotyrosine ethyl ester (CAS 53497-45-3) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate
Also Known As: Nitrotyrosine ethyl ester, Ethyl 3-nitrotyrosinate, Ethyl 3-nitro-L-tyrosinate, m-nitrotyrosine ethyl ester, 3-nitro-l-tyrosine ethyl ester
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 53497-45-3 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])N |
| InChIKey | VDFGKWYGLJURQQ-QMMMGPOBSA-N |
Product Overview
Nitrotyrosine ethyl ester (CAS 53497-45-3), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: ethyl (2S)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate.
Chemical Property Profile of Nitrotyrosine ethyl ester
Property Insights of Nitrotyrosine ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrotyrosine ethyl ester. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrotyrosine ethyl ester. Following Lipinski's Rule of Five, Nitrotyrosine ethyl ester 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 Nitrotyrosine ethyl ester?
The CAS number of Nitrotyrosine ethyl ester is 53497-45-3.
What is the molecular formula of Nitrotyrosine ethyl ester?
The molecular formula of Nitrotyrosine ethyl ester is C11H14N2O5.
What is the molecular weight of Nitrotyrosine ethyl ester?
The molecular weight of Nitrotyrosine ethyl ester is 254.09 g/mol.
Where can I buy Nitrotyrosine ethyl ester?
You can request a quote for Nitrotyrosine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrotyrosine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nitrotyrosine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.