Di-tert-butyl malonate
TL;DR: Di-tert-butyl malonate (CAS 541-16-2) 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.
ditert-butyl propanedioate
Also Known As: Di-tert-butyl malonate, ditert-butyl propanedioate, D-arabinose, di-t-Butylmalonate, di-t-butyl malonate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 541-16-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| InChIKey | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl malonate (CAS 541-16-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: ditert-butyl propanedioate.
Chemical Property Profile of Di-tert-butyl malonate
Property Insights of Di-tert-butyl malonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-tert-butyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Di-tert-butyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-tert-butyl 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 Di-tert-butyl malonate?
The CAS number of Di-tert-butyl malonate is 541-16-2.
What is the molecular formula of Di-tert-butyl malonate?
The molecular formula of Di-tert-butyl malonate is C11H20O4.
What is the molecular weight of Di-tert-butyl malonate?
The molecular weight of Di-tert-butyl malonate is 216.14 g/mol.
Where can I buy Di-tert-butyl malonate?
You can request a quote for Di-tert-butyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.