Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate
TL;DR: Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate (CAS 339343-20-3) is a chemical compound with molecular formula C14H20Cl2O4 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(dichloromethylidene)cyclohexyl]propanedioate
Also Known As: diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate, diethyl 2-[2-(dichloromethylidene)cyclohexyl]propanedioate, 1,3-diethyl 2-[2-(dichloromethylidene)cyclohexyl]propanedioate, diethyl 2-[2-(dichloromethylene)cyclohexyl]propanedioate, 2-(2-Dichloromethylene-cyclohexyl)malonic acid diethyl ester
| Molecular Formula | C14H20Cl2O4 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 3.6082 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.07385 |
| Heavy Atoms | 20 |
| Complexity | 370.63513 |
Chemical Identifiers
| CAS Number | 339343-20-3 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCCC1=C(Cl)Cl)C(=O)OCC |
Product Overview
Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate (CAS 339343-20-3), with molecular formula C14H20Cl2O4 and molecular weight 322.07 g/mol. IUPAC: diethyl 2-[2-(dichloromethylidene)cyclohexyl]propanedioate.
Chemical Property Profile of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate
Property Insights of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate
The XLogP value of 3.6082 indicates that Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate 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-(dichloromethylene)cyclohexyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate has 0 hydrogen bond donor(s) and 4 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-(dichloromethylene)cyclohexyl)malonate?
The CAS number of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate is 339343-20-3.
What is the molecular formula of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate?
The molecular formula of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate is C14H20Cl2O4.
What is the molecular weight of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate?
The molecular weight of Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate is 322.07 g/mol.
Where can I buy Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate?
You can request a quote for Diethyl 2-(2-(dichloromethylene)cyclohexyl)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-(dichloromethylene)cyclohexyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-(dichloromethylene)cyclohexyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.