![Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate structure](/static/products/382/382648-63-7.png)
Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate
TL;DR: Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate (CAS 382648-63-7) is a chemical compound with molecular formula C18H24ClNO5 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[3-(2-chloroanilino)-3-oxopropyl]-2-ethylpropanedioate
Also Known As: diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate, diethyl 2-(3-((2-chlorophenyl)amino)-3-oxopropyl)-2-ethylmalonate, diethyl 2-[3-(2-chloroanilino)-3-oxopropyl]-2-ethylpropanedioate
| Molecular Formula | C18H24ClNO5 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 3.5813 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 369.1343 |
| Heavy Atoms | 25 |
| Complexity | 599.2389 |
Chemical Identifiers
| CAS Number | 382648-63-7 |
|---|---|
| SMILES | CCC(CCC(=O)NC1=CC=CC=C1Cl)(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate (CAS 382648-63-7), with molecular formula C18H24ClNO5 and molecular weight 369.13 g/mol. IUPAC: diethyl 2-[3-(2-chloroanilino)-3-oxopropyl]-2-ethylpropanedioate.
Chemical Property Profile of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate
Property Insights of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate
The XLogP value of 3.5813 indicates that Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)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 {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate. Following Lipinski's Rule of Five, Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)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 {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate?
The CAS number of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate is 382648-63-7.
What is the molecular formula of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate?
The molecular formula of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate is C18H24ClNO5.
What is the molecular weight of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate?
The molecular weight of Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate is 369.13 g/mol.
Where can I buy Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate?
You can request a quote for Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl {3-[(2-chlorophenyl)amino]-3-oxopropyl}(ethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.