Diethyl diisopentylmalonate
TL;DR: Diethyl diisopentylmalonate (CAS 26595-25-5) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-bis(3-methylbutyl)propanedioate
Also Known As: diethyl diisopentylmalonate, Diethyl 2,2-bis(3-methylbutyl)propanedioate, 2,2-Diisopentylmalonic acid diethyl ester, J2.279.931B, 1,3-diethyl 2,2-bis(3-methylbutyl)propanedioate
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 3.9714 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 288.7518 |
Chemical Identifiers
| CAS Number | 26595-25-5 |
|---|---|
| SMILES | CCOC(=O)C(CCC(C)C)(CCC(C)C)C(=O)OCC |
Product Overview
Diethyl diisopentylmalonate (CAS 26595-25-5), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: diethyl 2,2-bis(3-methylbutyl)propanedioate.
Chemical Property Profile of Diethyl diisopentylmalonate
Property Insights of Diethyl diisopentylmalonate
The XLogP value of 3.9714 indicates that Diethyl diisopentylmalonate 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 diisopentylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl diisopentylmalonate 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 diisopentylmalonate?
The CAS number of Diethyl diisopentylmalonate is 26595-25-5.
What is the molecular formula of Diethyl diisopentylmalonate?
The molecular formula of Diethyl diisopentylmalonate is C17H32O4.
What is the molecular weight of Diethyl diisopentylmalonate?
The molecular weight of Diethyl diisopentylmalonate is 300.23 g/mol.
Where can I buy Diethyl diisopentylmalonate?
You can request a quote for Diethyl diisopentylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl diisopentylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl diisopentylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.