methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate
TL;DR: methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate (CAS 66076-22-0) is a chemical compound with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-hydroxyphenyl)methylideneamino]-3-(4-methoxy-3-nitrophenyl)propanoate
Also Known As: methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate, (E)-methyl 2-((2-hydroxybenzylidene)amino)-3-(4-methoxy-3-nitrophenyl)propanoate, methyl 3-(4-methoxy-3-nitrophenyl)-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoate, methyl 3-(4-methoxy-3-nitrophenyl)-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoate, methyl 3-(4-methoxy-3-nitrophenyl)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propanoate
| Molecular Formula | C18H18N2O6 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 2.5122 |
| Topological Polar Surface Area | 111.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.1165 |
| Heavy Atoms | 26 |
| Complexity | 834.1811 |
Chemical Identifiers
| CAS Number | 66076-22-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(C(=O)OC)N=CC2=CC=CC=C2O)[N+](=O)[O-] |
Product Overview
methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate (CAS 66076-22-0), with molecular formula C18H18N2O6 and molecular weight 358.12 g/mol. IUPAC: methyl 2-[(2-hydroxyphenyl)methylideneamino]-3-(4-methoxy-3-nitrophenyl)propanoate.
Chemical Property Profile of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate
Property Insights of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate
The XLogP value of 2.5122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate. The TPSA of 111.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate. Following Lipinski's Rule of Five, methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate has 1 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 methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate?
The CAS number of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate is 66076-22-0.
What is the molecular formula of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate?
The molecular formula of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate is C18H18N2O6.
What is the molecular weight of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate?
The molecular weight of methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate is 358.12 g/mol.
Where can I buy methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate?
You can request a quote for methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-N-(2-hydroxybenzylidene)-O-methyl-3-nitrotyrosinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.