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Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate
TL;DR: Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate (CAS 52927-44-3) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate
Also Known As: Baclofen Impurity 70, Dimethyl 2-(4-Chlorobenzylidene)Malonate, Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate, 2-(4-chloro-benzylidene)malonic acid dimethyl ester, (4-Chlorobenzylidene)malonic acid dimethyl ester
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.0694 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 430.07837 |
Chemical Identifiers
| CAS Number | 52927-44-3 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)Cl)C(=O)OC |
Product Overview
Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate (CAS 52927-44-3), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate
Property Insights of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate
The XLogP value of 2.0694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate 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 Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate?
The CAS number of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate is 52927-44-3.
What is the molecular formula of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate?
The molecular formula of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate is C12H11ClO4.
What is the molecular weight of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate?
The molecular weight of Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate is 254.03 g/mol.
Where can I buy Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate?
You can request a quote for Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(4-chlorophenyl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.