Malonic acid, di-sec-butyl ester
TL;DR: Malonic acid, di-sec-butyl ester (CAS 32260-07-4) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl propanedioate
Also Known As: dibutan-2-yl propanedioate, Di-sec-butyl malonate, di-s-butyl malonate, Malonic acid, di-sec-butyl ester, Di(butan-2-yl) propanedioate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 32260-07-4 |
|---|---|
| SMILES | CCC(C)OC(=O)CC(=O)OC(C)CC |
| InChIKey | QQXQNPKZBSJJTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Malonic acid, di-sec-butyl ester (CAS 32260-07-4), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: dibutan-2-yl propanedioate.
Chemical Property Profile of Malonic acid, di-sec-butyl ester
Property Insights of Malonic acid, di-sec-butyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid, di-sec-butyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid, di-sec-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid, di-sec-butyl 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
Frequently Asked Questions
What is the CAS number of Malonic acid, di-sec-butyl ester?
The CAS number of Malonic acid, di-sec-butyl ester is 32260-07-4.
What is the molecular formula of Malonic acid, di-sec-butyl ester?
The molecular formula of Malonic acid, di-sec-butyl ester is C11H20O4.
What is the molecular weight of Malonic acid, di-sec-butyl ester?
The molecular weight of Malonic acid, di-sec-butyl ester is 216.14 g/mol.
Where can I buy Malonic acid, di-sec-butyl ester?
You can request a quote for Malonic acid, di-sec-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, di-sec-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, di-sec-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.