![Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate structure](/static/products/3345/334506-67-1.webp)
Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate
TL;DR: Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate (CAS 334506-67-1) is a chemical compound with molecular formula C20H28ClNO5 and molecular weight 397.1656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]propanedioate
Also Known As: diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate, diethyl butyl{3-[(2-chlorophenyl)amino]-3-oxopropyl}propanedioate, diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]propanedioate, diethyl 2-butyl-2-(3-((2-chlorophenyl)amino)-3-oxopropyl)malonate
Technical Specifications
| Molecular Formula | C20H28ClNO5 |
| Molecular Weight | 397.1656 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 397.1656 Da |
| Heavy Atoms | 27 |
| Complexity | 479.0 |
| SMILES | CCCCC(CCC(=O)NC1=CC=CC=C1Cl)(C(=O)OCC)C(=O)OCC |
| InChIKey | FRDONXWMQQXPDK-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate
Property Insights of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate
The XLogP value of 4.5 indicates that Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate. Following Lipinski's Rule of Five, Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]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
What is the CAS number of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate?
The CAS number of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate is 334506-67-1.
What is the molecular formula of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate?
The molecular formula of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate is C20H28ClNO5.
What is the molecular weight of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate?
The molecular weight of Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate is 397.1656 g/mol.
Where can I buy Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate?
You can request a quote for Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-butyl-2-[3-(2-chloroanilino)-3-oxopropyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.