![Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate structure](/static/products/866/866155-84-2.png)
Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate
TL;DR: Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate (CAS 866155-84-2) is a chemical compound with molecular formula C15H18FNO4 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-fluoro-5-methylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate, 1,3-diethyl 2-{[(2-fluoro-5-methylphenyl)amino]methylidene}propanedioate, diethyl 2-[(2-fluoro-5-methylanilino)methylidene]propanedioate, diethyl 2-[(2-fluoro-5-methyl-anilino)methylene]propanedioate, 1,3-diethyl2-{[(2-fluoro-5-methylphenyl)amino]methylidene}propanedioate
| Molecular Formula | C15H18FNO4 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.55612 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.12198 |
| Heavy Atoms | 21 |
| Complexity | 534.6046 |
Chemical Identifiers
| CAS Number | 866155-84-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C=CC(=C1)C)F)C(=O)OCC |
Product Overview
Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate (CAS 866155-84-2), with molecular formula C15H18FNO4 and molecular weight 295.12 g/mol. IUPAC: diethyl 2-[(2-fluoro-5-methylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate
Property Insights of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate
The XLogP value of 2.55612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(2-fluoro-5-methylanilino)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-[(2-fluoro-5-methylanilino)methylene]malonate?
The CAS number of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate is 866155-84-2.
What is the molecular formula of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate is C15H18FNO4.
What is the molecular weight of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate is 295.12 g/mol.
Where can I buy Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(2-fluoro-5-methylanilino)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-[(2-fluoro-5-methylanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(2-fluoro-5-methylanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.