Diethyl heptylmalonate
TL;DR: Diethyl heptylmalonate (CAS 664-09-5) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-heptylpropanedioate
Also Known As: Diethyl 2-heptylmalonate, diethyl 2-heptylpropanedioate, diethyl heptylmalonate, Diethyl2-heptylmalonate, Diethyl heptylpropanedioate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 664-09-5 |
|---|---|
| SMILES | CCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | HIJIXCXMVYTMCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl heptylmalonate (CAS 664-09-5), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: diethyl 2-heptylpropanedioate.
Chemical Property Profile of Diethyl heptylmalonate
Property Insights of Diethyl heptylmalonate
The XLogP value of 4.5 indicates that Diethyl heptylmalonate 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 heptylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl heptylmalonate 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 heptylmalonate?
The CAS number of Diethyl heptylmalonate is 664-09-5.
What is the molecular formula of Diethyl heptylmalonate?
The molecular formula of Diethyl heptylmalonate is C14H26O4.
What is the molecular weight of Diethyl heptylmalonate?
The molecular weight of Diethyl heptylmalonate is 258.18 g/mol.
Where can I buy Diethyl heptylmalonate?
You can request a quote for Diethyl heptylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl heptylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl heptylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.