![Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate structure](/static/products/5719/57197-27-0.webp)
Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate
TL;DR: Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate (CAS 57197-27-0) is a chemical compound with molecular formula C21H20Cl4O4 and molecular weight 476.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate
Also Known As: Diethyl bis(3,4-dichlorobenzyl)malonate, diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate, Diethyl 2,2-bis(3,4-dichlorobenzyl)malonate, DIETHYL BIS-(3,4-DICHLOROBENZYL)-MALONATE, Diethyl bis[(3,4-dichlorophenyl)methyl]propanedioate
| Molecular Formula | C21H20Cl4O4 |
|---|---|
| Molecular Weight | 476.01 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 476.01157 |
| Heavy Atoms | 29 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 57197-27-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)Cl)Cl)(CC2=CC(=C(C=C2)Cl)Cl)C(=O)OCC |
| InChIKey | BCRBVFAGXYFRNM-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate (CAS 57197-27-0), with molecular formula C21H20Cl4O4 and molecular weight 476.01 g/mol. IUPAC: diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate
Property Insights of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate
The XLogP value of 7.2 indicates that Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate?
The CAS number of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate is 57197-27-0.
What is the molecular formula of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate?
The molecular formula of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate is C21H20Cl4O4.
What is the molecular weight of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate?
The molecular weight of Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate is 476.01 g/mol.
Where can I buy Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate?
You can request a quote for Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate 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-bis[(3,4-dichlorophenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2-bis[(3,4-dichlorophenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.