Diethyl octylmalonate
TL;DR: Diethyl octylmalonate (CAS 1472-85-1) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-octylpropanedioate
Also Known As: Diethyl octylmalonate, Diethyl 2-octylmalonate, diethyl 2-octylpropanedioate, diethyl n-octylmalonate, diethyl-n-octylmalonate
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 1472-85-1 |
|---|---|
| SMILES | CCCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | YZYBVYGISZANLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl octylmalonate (CAS 1472-85-1), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: diethyl 2-octylpropanedioate.
Chemical Property Profile of Diethyl octylmalonate
Property Insights of Diethyl octylmalonate
The XLogP value of 5.0 indicates that Diethyl octylmalonate 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 octylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl octylmalonate 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 octylmalonate?
The CAS number of Diethyl octylmalonate is 1472-85-1.
What is the molecular formula of Diethyl octylmalonate?
The molecular formula of Diethyl octylmalonate is C15H28O4.
What is the molecular weight of Diethyl octylmalonate?
The molecular weight of Diethyl octylmalonate is 272.20 g/mol.
Where can I buy Diethyl octylmalonate?
You can request a quote for Diethyl octylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl octylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl octylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.