![Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate structure](/static/products/5866/58666-10-7.webp)
Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate
TL;DR: Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate (CAS 58666-10-7) is a chemical compound with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-chloro-2-methylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate, diethyl 2-[(3-chloro-2-methylanilino)methylidene]propanedioate, 6J-010, diethyl 2-(((3-chloro-2-methylphenyl)amino)methylene)malonate, ((3-Chloro-2-methylphenylamino)methylene)malonicaciddiethylester
| Molecular Formula | C15H18ClNO4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.07042 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.09244 |
| Heavy Atoms | 21 |
| Complexity | 534.6046 |
Chemical Identifiers
| CAS Number | 58666-10-7 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=C(C(=CC=C1)Cl)C)C(=O)OCC |
Product Overview
Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate (CAS 58666-10-7), with molecular formula C15H18ClNO4 and molecular weight 311.09 g/mol. IUPAC: diethyl 2-[(3-chloro-2-methylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate
Property Insights of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate
The XLogP value of 3.07042 indicates that Diethyl 2-[(3-chloro-2-methylanilino)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-chloro-2-methylanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(3-chloro-2-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-[(3-chloro-2-methylanilino)methylene]malonate?
The CAS number of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate is 58666-10-7.
What is the molecular formula of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate is C15H18ClNO4.
What is the molecular weight of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate is 311.09 g/mol.
Where can I buy Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(3-chloro-2-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-[(3-chloro-2-methylanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(3-chloro-2-methylanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.