![Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate structure](/static/products/799/799795-92-9.png)
Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate
TL;DR: Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate (CAS 799795-92-9) is a chemical compound with molecular formula C21H30ClNO5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-butyl-2-[4-(2-chloroanilino)-4-oxobutan-2-yl]propanedioate
Also Known As: diethyl 2-butyl-2-(4-((2-chlorophenyl)amino)-4-oxobutan-2-yl)malonate, diethyl 2-butyl-2-[4-(2-chloroanilino)-4-oxobutan-2-yl]propanedioate, diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate
| Molecular Formula | C21H30ClNO5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 4.6075 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 411.18124 |
| Heavy Atoms | 28 |
| Complexity | 658.5147 |
Chemical Identifiers
| CAS Number | 799795-92-9 |
|---|---|
| SMILES | CCCCC(C(C)CC(=O)NC1=CC=CC=C1Cl)(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate (CAS 799795-92-9), with molecular formula C21H30ClNO5 and molecular weight 411.18 g/mol. IUPAC: diethyl 2-butyl-2-[4-(2-chloroanilino)-4-oxobutan-2-yl]propanedioate.
Chemical Property Profile of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate
Property Insights of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate
The XLogP value of 4.6075 indicates that Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate 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 butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate. Following Lipinski's Rule of Five, Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate 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 butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate?
The CAS number of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate is 799795-92-9.
What is the molecular formula of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate?
The molecular formula of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate is C21H30ClNO5.
What is the molecular weight of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate?
The molecular weight of Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate is 411.18 g/mol.
Where can I buy Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate?
You can request a quote for Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl butyl{4-[(2-chlorophenyl)amino]-4-oxobutan-2-yl}propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.