![Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate structure](/static/products/866/866152-99-0.png)
Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate
TL;DR: Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate (CAS 866152-99-0) is a chemical compound with molecular formula C15H17Cl2NO6 and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate
Also Known As: diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate, diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate, 1,3-diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate, 1,3-diethyl2-[1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate
| Molecular Formula | C15H17Cl2NO6 |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 3.0961 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.0433 |
| Heavy Atoms | 24 |
| Complexity | 603.9819 |
Chemical Identifiers
| CAS Number | 866152-99-0 |
|---|---|
| SMILES | CCOC(=O)C(C(C[N+](=O)[O-])C1=C(C=C(C=C1)Cl)Cl)C(=O)OCC |
Product Overview
Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate (CAS 866152-99-0), with molecular formula C15H17Cl2NO6 and molecular weight 377.04 g/mol. IUPAC: diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate.
Chemical Property Profile of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate
Property Insights of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate
The XLogP value of 3.0961 indicates that Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate. Following Lipinski's Rule of Five, Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate 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 Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate?
The CAS number of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate is 866152-99-0.
What is the molecular formula of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate?
The molecular formula of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate is C15H17Cl2NO6.
What is the molecular weight of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate?
The molecular weight of Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate is 377.04 g/mol.
Where can I buy Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate?
You can request a quote for Diethyl 2-[1-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-2-nitroethyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[1-(2,4-dichlorophenyl)-2-nitroethyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.