![Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate structure](/static/products/4000/400086-35-3.webp)
Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate
TL;DR: Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate (CAS 400086-35-3) is a chemical compound with molecular formula C15H17ClO6 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxypropanedioate
Also Known As: diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate, diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxypropanedioate, 1,3-diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxypropanedioate, Diethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-2-hydroxy-propanedioate, 1,3-diethyl2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxypropanedioate
| Molecular Formula | C15H17ClO6 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 1.7701 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.07138 |
| Heavy Atoms | 22 |
| Complexity | 533.656 |
Chemical Identifiers
| CAS Number | 400086-35-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)(C(=O)OCC)O |
Product Overview
Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate (CAS 400086-35-3), with molecular formula C15H17ClO6 and molecular weight 328.07 g/mol. IUPAC: diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxypropanedioate.
Chemical Property Profile of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate
Property Insights of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate
The XLogP value of 1.7701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate. Following Lipinski's Rule of Five, Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate has 1 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-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate?
The CAS number of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate is 400086-35-3.
What is the molecular formula of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate?
The molecular formula of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate is C15H17ClO6.
What is the molecular weight of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate?
The molecular weight of Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate is 328.07 g/mol.
Where can I buy Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate?
You can request a quote for Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-2-hydroxymalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.