![Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate structure](/static/products/866/866154-80-5.png)
Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate
TL;DR: Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate (CAS 866154-80-5) is a chemical compound with molecular formula C23H27NO7 and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioate
Also Known As: diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate, diethyl 2-[1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioate, 1,3-diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}propanedioate, Diethyl {1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}propanedioate, 1,3-Diethyl 2-[1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioate
| Molecular Formula | C23H27NO7 |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 4.144 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 429.17874 |
| Heavy Atoms | 31 |
| Complexity | 877.0529 |
Chemical Identifiers
| CAS Number | 866154-80-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC2=CC=CC(=C2)C(C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate (CAS 866154-80-5), with molecular formula C23H27NO7 and molecular weight 429.18 g/mol. IUPAC: diethyl 2-[1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioate.
Chemical Property Profile of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate
Property Insights of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate
The XLogP value of 4.144 indicates that Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate. Following Lipinski's Rule of Five, Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate has 0 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 Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate?
The CAS number of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate is 866154-80-5.
What is the molecular formula of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate?
The molecular formula of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate is C23H27NO7.
What is the molecular weight of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate?
The molecular weight of Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate is 429.18 g/mol.
Where can I buy Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate?
You can request a quote for Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-{1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.