Diethyl tert-butylmethylmalonate
TL;DR: Diethyl tert-butylmethylmalonate (CAS 53268-44-3) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-tert-butyl-2-methylpropanedioate
Also Known As: DIETHYL TERT-BUTYLMETHYLMALONATE, diethyl (methyl-tert-butyl)malonate, diethyl 2-tert-butyl-2-methylpropanedioate, Diethyl tert-butyl(methyl)propanedioate, J1.621.325J
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 53268-44-3 |
|---|---|
| SMILES | CCOC(=O)C(C)(C(=O)OCC)C(C)(C)C |
| InChIKey | CVOBUHAGPHYJPC-UHFFFAOYSA-N |
Product Overview
Diethyl tert-butylmethylmalonate (CAS 53268-44-3), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2-tert-butyl-2-methylpropanedioate.
Chemical Property Profile of Diethyl tert-butylmethylmalonate
Property Insights of Diethyl tert-butylmethylmalonate
The XLogP value of 3.0 indicates that Diethyl tert-butylmethylmalonate 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 tert-butylmethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl tert-butylmethylmalonate 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 tert-butylmethylmalonate?
The CAS number of Diethyl tert-butylmethylmalonate is 53268-44-3.
What is the molecular formula of Diethyl tert-butylmethylmalonate?
The molecular formula of Diethyl tert-butylmethylmalonate is C12H22O4.
What is the molecular weight of Diethyl tert-butylmethylmalonate?
The molecular weight of Diethyl tert-butylmethylmalonate is 230.15 g/mol.
Where can I buy Diethyl tert-butylmethylmalonate?
You can request a quote for Diethyl tert-butylmethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl tert-butylmethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl tert-butylmethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.