![Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate structure](/static/products/866/866153-01-7.png)
Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate
TL;DR: Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate (CAS 866153-01-7) is a chemical compound with molecular formula C21H23NO7 and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate
Also Known As: diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate, diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate, 1,3-diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate, 1,3-diethyl2-[2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate
| Molecular Formula | C21H23NO7 |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 3.5816 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 401.14746 |
| Heavy Atoms | 29 |
| Complexity | 819.93304 |
Chemical Identifiers
| CAS Number | 866153-01-7 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)OCC |
Product Overview
Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate (CAS 866153-01-7), with molecular formula C21H23NO7 and molecular weight 401.15 g/mol. IUPAC: diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate.
Chemical Property Profile of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate
Property Insights of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate
The XLogP value of 3.5816 indicates that Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]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-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate. Following Lipinski's Rule of Five, Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]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-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate?
The CAS number of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate is 866153-01-7.
What is the molecular formula of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate?
The molecular formula of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate is C21H23NO7.
What is the molecular weight of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate?
The molecular weight of Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate is 401.15 g/mol.
Where can I buy Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate?
You can request a quote for Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]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-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[2-nitro-1-(3-phenoxyphenyl)ethyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.