Diethyl butylmalonate
TL;DR: Diethyl butylmalonate (CAS 133-08-4) 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.
diethyl 2-butylpropanedioate
Also Known As: Diethyl butylmalonate, Diethyl n-butylmalonate, Diethyl 2-butylmalonate, Ethyl butylmalonate, bmde
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 133-08-4 |
|---|---|
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| InChIKey | RPNFNBGRHCUORR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl butylmalonate (CAS 133-08-4), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 2-butylpropanedioate.
Chemical Property Profile of Diethyl butylmalonate
Property Insights of Diethyl butylmalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl butylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl butylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl butylmalonate 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 butylmalonate?
The CAS number of Diethyl butylmalonate is 133-08-4.
What is the molecular formula of Diethyl butylmalonate?
The molecular formula of Diethyl butylmalonate is C11H20O4.
What is the molecular weight of Diethyl butylmalonate?
The molecular weight of Diethyl butylmalonate is 216.14 g/mol.
Where can I buy Diethyl butylmalonate?
You can request a quote for Diethyl butylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl butylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl butylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.