Diethyl 2-((3,4-dichloroanilino)methylene)malonate
TL;DR: Diethyl 2-((3,4-dichloroanilino)methylene)malonate (CAS 26832-89-3) is a chemical compound with molecular formula C14H15Cl2NO4 and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,4-dichloroanilino)methylidene]propanedioate
Also Known As: Ciprofloxacin Impurity 19, diethyl 2-[(3,4-dichloroanilino)methylene]malonate, BAS 00440662, Diethyl 2-(((3,4-dichlorophenyl)amino)methylene)malonate, diethyl 2-[(3,4-dichloroanilino)methylidene]propanedioate
| Molecular Formula | C14H15Cl2NO4 |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 3.4154 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.0378 |
| Heavy Atoms | 21 |
| Complexity | 537.905 |
Chemical Identifiers
| CAS Number | 26832-89-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC(=C(C=C1)Cl)Cl)C(=O)OCC |
Product Overview
Diethyl 2-((3,4-dichloroanilino)methylene)malonate (CAS 26832-89-3), with molecular formula C14H15Cl2NO4 and molecular weight 331.04 g/mol. IUPAC: diethyl 2-[(3,4-dichloroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-((3,4-dichloroanilino)methylene)malonate
Property Insights of Diethyl 2-((3,4-dichloroanilino)methylene)malonate
The XLogP value of 3.4154 indicates that Diethyl 2-((3,4-dichloroanilino)methylene)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-((3,4-dichloroanilino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-((3,4-dichloroanilino)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 2-((3,4-dichloroanilino)methylene)malonate?
The CAS number of Diethyl 2-((3,4-dichloroanilino)methylene)malonate is 26832-89-3.
What is the molecular formula of Diethyl 2-((3,4-dichloroanilino)methylene)malonate?
The molecular formula of Diethyl 2-((3,4-dichloroanilino)methylene)malonate is C14H15Cl2NO4.
What is the molecular weight of Diethyl 2-((3,4-dichloroanilino)methylene)malonate?
The molecular weight of Diethyl 2-((3,4-dichloroanilino)methylene)malonate is 331.04 g/mol.
Where can I buy Diethyl 2-((3,4-dichloroanilino)methylene)malonate?
You can request a quote for Diethyl 2-((3,4-dichloroanilino)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 2-((3,4-dichloroanilino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-((3,4-dichloroanilino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.