DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester
TL;DR: DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester (CAS 118123-20-9) is a chemical compound with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-(hexanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate
Also Known As: DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester, O-Methyl-3-nitro-N-(1-oxohexyl)-DL-tyrosine ethyl ester, Ethyl N-hexanoyl-O-methyl-3-nitro-L-tyrosinate, ethyl (2S)-2-(hexanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate, RefChem:339326
| Molecular Formula | C18H26N2O6 |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 2.7741 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 366.17908 |
| Heavy Atoms | 26 |
| Complexity | 632.10736 |
Chemical Identifiers
| CAS Number | 118123-20-9 |
|---|---|
| SMILES | CCCCCC(=O)N[C@@H](CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC |
Product Overview
DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester (CAS 118123-20-9), with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol. IUPAC: ethyl (2S)-2-(hexanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate.
Chemical Property Profile of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester
Property Insights of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester
The XLogP value of 2.7741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester. Following Lipinski's Rule of Five, DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester has 1 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 DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester?
The CAS number of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester is 118123-20-9.
What is the molecular formula of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester?
The molecular formula of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester is C18H26N2O6.
What is the molecular weight of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester?
The molecular weight of DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester is 366.18 g/mol.
Where can I buy DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester?
You can request a quote for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for DL-Tyrosine, O-methyl-3-nitro-N-(1-oxohexyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.