Diethyl hexylmalonate
TL;DR: Diethyl hexylmalonate (CAS 5398-10-7) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hexylpropanedioate
Also Known As: Diethyl hexylmalonate, Diethyl 2-hexylmalonate, diethyl 2-hexylpropanedioate, Diethyl hexylpropanedioate, Malonic acid, diethyl ester
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 5398-10-7 |
|---|---|
| SMILES | CCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | HSHMTDVEKPAEGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl hexylmalonate (CAS 5398-10-7), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: diethyl 2-hexylpropanedioate.
Chemical Property Profile of Diethyl hexylmalonate
Property Insights of Diethyl hexylmalonate
The XLogP value of 4.0 indicates that Diethyl hexylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl hexylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl hexylmalonate has 0 hydrogen bond donor(s) and 4 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 hexylmalonate?
The CAS number of Diethyl hexylmalonate is 5398-10-7.
What is the molecular formula of Diethyl hexylmalonate?
The molecular formula of Diethyl hexylmalonate is C13H24O4.
What is the molecular weight of Diethyl hexylmalonate?
The molecular weight of Diethyl hexylmalonate is 244.17 g/mol.
Where can I buy Diethyl hexylmalonate?
You can request a quote for Diethyl hexylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl hexylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl hexylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.