Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
TL;DR: Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate (CAS 84803-73-6) is a chemical compound with molecular formula C19H23ClO6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate
Also Known As: Baclofen Impurity 16, Baclofen Impurity 17, EINECS 284-201-0, Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate, diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate
| Molecular Formula | C19H23ClO6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.9602 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.11832 |
| Heavy Atoms | 26 |
| Complexity | 631.1119 |
Chemical Identifiers
| CAS Number | 84803-73-6 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=C(C=C1)Cl)C(C(=O)C)C(=O)OCC)C(=O)C |
Product Overview
Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate (CAS 84803-73-6), with molecular formula C19H23ClO6 and molecular weight 382.12 g/mol. IUPAC: diethyl 2,4-diacetyl-3-(4-chlorophenyl)pentanedioate.
Chemical Property Profile of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
Property Insights of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
The XLogP value of 2.9602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate. Following Lipinski's Rule of Five, Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate has 0 hydrogen bond donor(s) and 6 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 2,4-diacetyl-3-(4-chlorophenyl)glutarate?
The CAS number of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate is 84803-73-6.
What is the molecular formula of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate?
The molecular formula of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate is C19H23ClO6.
What is the molecular weight of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate?
The molecular weight of Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate is 382.12 g/mol.
Where can I buy Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate?
You can request a quote for Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.