![Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate structure](/static/products/1850/185012-16-2.webp)
Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate
TL;DR: Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate (CAS 185012-16-2) is a chemical compound with molecular formula C14H15ClFNO4 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-chloro-2-fluoroanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate, 6J-036, 1,3-diethyl 2-{[(4-chloro-2-fluorophenyl)amino]methylidene}propanedioate, diethyl 2-[(4-chloro-2-fluoroanilino)methylidene]propanedioate, Diethyl 2-(4-chloro-2-fluoroanilino)methylenemalonate
| Molecular Formula | C14H15ClFNO4 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.9011 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.06735 |
| Heavy Atoms | 21 |
| Complexity | 539.905 |
Chemical Identifiers
| CAS Number | 185012-16-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C=C(C=C1)Cl)F)C(=O)OCC |
Product Overview
Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate (CAS 185012-16-2), with molecular formula C14H15ClFNO4 and molecular weight 315.07 g/mol. IUPAC: diethyl 2-[(4-chloro-2-fluoroanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate
Property Insights of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate
The XLogP value of 2.9011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(4-chloro-2-fluoroanilino)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-[(4-chloro-2-fluoroanilino)methylene]malonate?
The CAS number of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate is 185012-16-2.
What is the molecular formula of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate is C14H15ClFNO4.
What is the molecular weight of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate is 315.07 g/mol.
Where can I buy Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(4-chloro-2-fluoroanilino)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-[(4-chloro-2-fluoroanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-chloro-2-fluoroanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.