Diethyl pentylmalonate
TL;DR: Diethyl pentylmalonate (CAS 6065-59-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pentylpropanedioate
Also Known As: Diethyl pentylmalonate, diethyl 2-pentylmalonate, diethyl 2-pentylpropanedioate, DIETHYL N-AMYLMALONATE, 1,3-diethyl 2-pentylpropanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6065-59-4 |
|---|---|
| SMILES | CCCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | OQFYXOBMUBGANU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl pentylmalonate (CAS 6065-59-4), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2-pentylpropanedioate.
Chemical Property Profile of Diethyl pentylmalonate
Property Insights of Diethyl pentylmalonate
The XLogP value of 3.4 indicates that Diethyl pentylmalonate 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 pentylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl pentylmalonate 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 pentylmalonate?
The CAS number of Diethyl pentylmalonate is 6065-59-4.
What is the molecular formula of Diethyl pentylmalonate?
The molecular formula of Diethyl pentylmalonate is C12H22O4.
What is the molecular weight of Diethyl pentylmalonate?
The molecular weight of Diethyl pentylmalonate is 230.15 g/mol.
Where can I buy Diethyl pentylmalonate?
You can request a quote for Diethyl pentylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl pentylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl pentylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.