Diethyl (2-methylpentyl)-malonate
TL;DR: Diethyl (2-methylpentyl)-malonate (CAS 92155-95-8) 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-(2-methylpentyl)propanedioate
Also Known As: diethyl(2-methylpentyl)propanedioate, diethyl 2-(2-methylpentyl)propanedioate, Diethyl 2-(2-methylpentyl)malonate, DIETHYL (2-METHYLPENTYL)-MALONATE, Diethyl (2-methylpentyl)propanedioate
| Molecular Formula | C13H24O4 |
|---|---|
| Molecular Weight | 244.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.16747 |
| Heavy Atoms | 17 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 92155-95-8 |
|---|---|
| SMILES | CCCC(C)CC(C(=O)OCC)C(=O)OCC |
| InChIKey | GSEKUTHOMWBXQU-UHFFFAOYSA-N |
Product Overview
Diethyl (2-methylpentyl)-malonate (CAS 92155-95-8), with molecular formula C13H24O4 and molecular weight 244.17 g/mol. IUPAC: diethyl 2-(2-methylpentyl)propanedioate.
Chemical Property Profile of Diethyl (2-methylpentyl)-malonate
Property Insights of Diethyl (2-methylpentyl)-malonate
The XLogP value of 3.7 indicates that Diethyl (2-methylpentyl)-malonate 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 (2-methylpentyl)-malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-methylpentyl)-malonate 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 (2-methylpentyl)-malonate?
The CAS number of Diethyl (2-methylpentyl)-malonate is 92155-95-8.
What is the molecular formula of Diethyl (2-methylpentyl)-malonate?
The molecular formula of Diethyl (2-methylpentyl)-malonate is C13H24O4.
What is the molecular weight of Diethyl (2-methylpentyl)-malonate?
The molecular weight of Diethyl (2-methylpentyl)-malonate is 244.17 g/mol.
Where can I buy Diethyl (2-methylpentyl)-malonate?
You can request a quote for Diethyl (2-methylpentyl)-malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-methylpentyl)-malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-methylpentyl)-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.