2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯
TL;DR: 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 (CAS 17451-67-1) is a chemical compound with molecular formula C19H16N2O6 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate
Also Known As: ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate, 4-Nitro-L-phenyl-N-phthalylalanine, ethyl ester, 4-Nitro-N,N-phthaloyl-L-phenylalanin-aethylester, 4-Nitro-N,N-phthaloyl-DL-phenylalanine ethyl ester, Ethyl (S)-1,3-dihydro-alpha-((4-nitrophenyl)methyl)-1,3-dioxo-2H-isoindole-2-acetate
| Molecular Formula | C19H16N2O6 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.10083 |
| Heavy Atoms | 27 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 17451-67-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | RVEIAMZETABDBE-UHFFFAOYSA-N |
Product Overview
2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 (CAS 17451-67-1), with molecular formula C19H16N2O6 and molecular weight 368.10 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯
Property Insights of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯
The XLogP value of 3.0 indicates that 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯. Following Lipinski's Rule of Five, 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 has 0 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 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯?
The CAS number of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 is 17451-67-1.
What is the molecular formula of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯?
The molecular formula of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 is C19H16N2O6.
What is the molecular weight of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯?
The molecular weight of 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 is 368.10 g/mol.
Where can I buy 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯?
You can request a quote for 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-二氧代异吲哚-2-基)-3-(4-硝基苯基)丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.