Diethyl 2-(3-chlorobenzylidene)malonate
TL;DR: Diethyl 2-(3-chlorobenzylidene)malonate (CAS 6768-21-4) is a chemical compound with molecular formula C14H15ClO4 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-chlorophenyl)methylidene]propanedioate
Also Known As: malonicaciddiethylester, Diethyl 2-(3-chlorobenzylidene)malonate, diethyl m-chlorobenzylidenemalonate, Diethyl 2-(3-chlorobenzylidene)malonate #, diethyl 2-[(3-chlorophenyl)methylidene]propanedioate
| Molecular Formula | C14H15ClO4 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.0659 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 6768-21-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC |
| InChIKey | ASZSQVRNXYEROB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(3-chlorobenzylidene)malonate (CAS 6768-21-4), with molecular formula C14H15ClO4 and molecular weight 282.07 g/mol. IUPAC: diethyl 2-[(3-chlorophenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(3-chlorobenzylidene)malonate
Property Insights of Diethyl 2-(3-chlorobenzylidene)malonate
The XLogP value of 3.5 indicates that Diethyl 2-(3-chlorobenzylidene)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-(3-chlorobenzylidene)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(3-chlorobenzylidene)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-(3-chlorobenzylidene)malonate?
The CAS number of Diethyl 2-(3-chlorobenzylidene)malonate is 6768-21-4.
What is the molecular formula of Diethyl 2-(3-chlorobenzylidene)malonate?
The molecular formula of Diethyl 2-(3-chlorobenzylidene)malonate is C14H15ClO4.
What is the molecular weight of Diethyl 2-(3-chlorobenzylidene)malonate?
The molecular weight of Diethyl 2-(3-chlorobenzylidene)malonate is 282.07 g/mol.
Where can I buy Diethyl 2-(3-chlorobenzylidene)malonate?
You can request a quote for Diethyl 2-(3-chlorobenzylidene)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-(3-chlorobenzylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3-chlorobenzylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.