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Diethyl [(m-chloroanilino)methylene]malonate
TL;DR: Diethyl [(m-chloroanilino)methylene]malonate (CAS 3412-99-5) is a chemical compound with molecular formula C14H16ClNO4 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-chloroanilino)methylidene]propanedioate
Also Known As: Diethyl 2-(((3-chlorophenyl)amino)methylene)malonate, Diethyl ((m-chloroanilino)methylene)malonate, diethyl[ methylene]malonate, DIETHYL [(M-CHLOROANILINO)METHYLENE]MALONATE, Mivacurium chloride Impurity 37
| Molecular Formula | C14H16ClNO4 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 297.07678 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 3412-99-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=CC=C1)Cl)C(=O)OCC |
| InChIKey | BPRVACYIWCWMTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [(m-chloroanilino)methylene]malonate (CAS 3412-99-5), with molecular formula C14H16ClNO4 and molecular weight 297.08 g/mol. IUPAC: diethyl 2-[(3-chloroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl [(m-chloroanilino)methylene]malonate
Property Insights of Diethyl [(m-chloroanilino)methylene]malonate
The XLogP value of 3.9 indicates that Diethyl [(m-chloroanilino)methylene]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [(m-chloroanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl [(m-chloroanilino)methylene]malonate has 1 hydrogen bond donor(s) and 5 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 [(m-chloroanilino)methylene]malonate?
The CAS number of Diethyl [(m-chloroanilino)methylene]malonate is 3412-99-5.
What is the molecular formula of Diethyl [(m-chloroanilino)methylene]malonate?
The molecular formula of Diethyl [(m-chloroanilino)methylene]malonate is C14H16ClNO4.
What is the molecular weight of Diethyl [(m-chloroanilino)methylene]malonate?
The molecular weight of Diethyl [(m-chloroanilino)methylene]malonate is 297.08 g/mol.
Where can I buy Diethyl [(m-chloroanilino)methylene]malonate?
You can request a quote for Diethyl [(m-chloroanilino)methylene]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(m-chloroanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(m-chloroanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.