Malonic acid, diethyl-, ethyl isobutyl ester
TL;DR: Malonic acid, diethyl-, ethyl isobutyl ester (CAS 63917-09-9) is a chemical compound with molecular formula C13H24O4 and molecular weight 244.16747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-butan-2-yl 3-O-ethyl 2,2-diethylpropanedioate
Also Known As: butan-2-yl ethyl diethylpropanedioate, Ethyl-1-methyl propyl diethyl malonate, MALONIC ACID, DIETHYL-, ETHYL ISOBUTYL ESTER, 1-O-butan-2-yl 3-O-ethyl 2,2-diethylpropanedioate, Malonic acid,2-ethyl-2(l-methyl)propyl,diethylester
Technical Specifications
| Molecular Formula | C13H24O4 |
| Molecular Weight | 244.16747 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.16747 Da |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
| SMILES | CCC(C)OC(=O)C(CC)(CC)C(=O)OCC |
| InChIKey | KIXXIXABYBOQEB-UHFFFAOYSA-N |
Chemical Property Profile of Malonic acid, diethyl-, ethyl isobutyl ester
Property Insights of Malonic acid, diethyl-, ethyl isobutyl ester
The XLogP value of 3.5 indicates that Malonic acid, diethyl-, ethyl isobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, diethyl-, ethyl isobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, diethyl-, ethyl isobutyl ester 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
What is the CAS number of Malonic acid, diethyl-, ethyl isobutyl ester?
The CAS number of Malonic acid, diethyl-, ethyl isobutyl ester is 63917-09-9.
What is the molecular formula of Malonic acid, diethyl-, ethyl isobutyl ester?
The molecular formula of Malonic acid, diethyl-, ethyl isobutyl ester is C13H24O4.
What is the molecular weight of Malonic acid, diethyl-, ethyl isobutyl ester?
The molecular weight of Malonic acid, diethyl-, ethyl isobutyl ester is 244.16747 g/mol.
Where can I buy Malonic acid, diethyl-, ethyl isobutyl ester?
You can request a quote for Malonic acid, diethyl-, ethyl isobutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malonic acid, diethyl-, ethyl isobutyl ester?
Yes, CoreyChem provides custom synthesis services for Malonic acid, diethyl-, ethyl isobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.