![Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester structure](/static/products/6768/6768-20-3.webp)
Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester
TL;DR: Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester (CAS 6768-20-3) 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-[(2-chlorophenyl)methylidene]propanedioate
Also Known As: Malonic acid, diethyl ester, Propanedioic acid, diethyl ester, NCI60_001336, Diethyl 2-(2-chlorobenzylidene)malonate #, Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester
| Molecular Formula | C14H15ClO4 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 3.1 |
| 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 | 6768-20-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)OCC |
| InChIKey | OJWGHOBMLQZGJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester (CAS 6768-20-3), with molecular formula C14H15ClO4 and molecular weight 282.07 g/mol. IUPAC: diethyl 2-[(2-chlorophenyl)methylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester
Property Insights of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester
The XLogP value of 3.1 indicates that Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester 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 Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester?
The CAS number of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester is 6768-20-3.
What is the molecular formula of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester?
The molecular formula of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester is C14H15ClO4.
What is the molecular weight of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester?
The molecular weight of Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester is 282.07 g/mol.
Where can I buy Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester?
You can request a quote for Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.