Diethyl-6-(4-chlorophenoxy) hexylmalonate
TL;DR: Diethyl-6-(4-chlorophenoxy) hexylmalonate (CAS 82258-39-7) is a chemical compound with molecular formula C19H27ClO5 and molecular weight 370.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[6-(4-chlorophenoxy)hexyl]propanedioate
Also Known As: DIETHYL-6-(4-CHLOROPHENOXY) HEXYLMALONATE, Diethyl 2-[6-(4-chlorophenoxy)hexyl]propanedioate, Diethyl-6-(4-chlorophenoxy)hexylmalonate, Diethyl [6-(4-Chlorophenoxy)hexyl]malonate, Diethyl [6-(4-chlorophenoxy)hexyl]propanedioate
| Molecular Formula | C19H27ClO5 |
|---|---|
| Molecular Weight | 370.15 g/mol |
| LogP | 4.4117 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 370.1547 |
| Heavy Atoms | 25 |
| Complexity | 497.05066 |
Chemical Identifiers
| CAS Number | 82258-39-7 |
|---|---|
| SMILES | CCOC(=O)C(CCCCCCOC1=CC=C(C=C1)Cl)C(=O)OCC |
Product Overview
Diethyl-6-(4-chlorophenoxy) hexylmalonate (CAS 82258-39-7), with molecular formula C19H27ClO5 and molecular weight 370.15 g/mol. IUPAC: diethyl 2-[6-(4-chlorophenoxy)hexyl]propanedioate.
Chemical Property Profile of Diethyl-6-(4-chlorophenoxy) hexylmalonate
Property Insights of Diethyl-6-(4-chlorophenoxy) hexylmalonate
The XLogP value of 4.4117 indicates that Diethyl-6-(4-chlorophenoxy) hexylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl-6-(4-chlorophenoxy) hexylmalonate. Following Lipinski's Rule of Five, Diethyl-6-(4-chlorophenoxy) hexylmalonate has 0 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-6-(4-chlorophenoxy) hexylmalonate?
The CAS number of Diethyl-6-(4-chlorophenoxy) hexylmalonate is 82258-39-7.
What is the molecular formula of Diethyl-6-(4-chlorophenoxy) hexylmalonate?
The molecular formula of Diethyl-6-(4-chlorophenoxy) hexylmalonate is C19H27ClO5.
What is the molecular weight of Diethyl-6-(4-chlorophenoxy) hexylmalonate?
The molecular weight of Diethyl-6-(4-chlorophenoxy) hexylmalonate is 370.15 g/mol.
Where can I buy Diethyl-6-(4-chlorophenoxy) hexylmalonate?
You can request a quote for Diethyl-6-(4-chlorophenoxy) hexylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-6-(4-chlorophenoxy) hexylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-6-(4-chlorophenoxy) hexylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.