Butyl (2-methylpropan-2-yl)oxy carbonate
TL;DR: Butyl (2-methylpropan-2-yl)oxy carbonate (CAS 69945-22-8) is a chemical compound with molecular formula C9H18O4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2-methylpropan-2-yl)oxy carbonate
Also Known As: butyl (2-methylpropan-2-yl)oxy carbonate, BUTYL TERT-BUTOXY CARBONATE, TERT-BUTOXY BUTYL CARBONATE, tertiary-butyl peroxy butyl carbonate, 1-{[(tert-Butylperoxy)carbonyl]oxy}butane
| Molecular Formula | C9H18O4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.12051 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 69945-22-8 |
|---|---|
| SMILES | CCCCOC(=O)OOC(C)(C)C |
| InChIKey | XOHTUHXFHKUNKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl (2-methylpropan-2-yl)oxy carbonate (CAS 69945-22-8), with molecular formula C9H18O4 and molecular weight 190.12 g/mol. IUPAC: butyl (2-methylpropan-2-yl)oxy carbonate.
Chemical Property Profile of Butyl (2-methylpropan-2-yl)oxy carbonate
Property Insights of Butyl (2-methylpropan-2-yl)oxy carbonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (2-methylpropan-2-yl)oxy carbonate. With a topological polar surface area (TPSA) of 44.8 Ų, Butyl (2-methylpropan-2-yl)oxy carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (2-methylpropan-2-yl)oxy carbonate 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 Butyl (2-methylpropan-2-yl)oxy carbonate?
The CAS number of Butyl (2-methylpropan-2-yl)oxy carbonate is 69945-22-8.
What is the molecular formula of Butyl (2-methylpropan-2-yl)oxy carbonate?
The molecular formula of Butyl (2-methylpropan-2-yl)oxy carbonate is C9H18O4.
What is the molecular weight of Butyl (2-methylpropan-2-yl)oxy carbonate?
The molecular weight of Butyl (2-methylpropan-2-yl)oxy carbonate is 190.12 g/mol.
Where can I buy Butyl (2-methylpropan-2-yl)oxy carbonate?
You can request a quote for Butyl (2-methylpropan-2-yl)oxy carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (2-methylpropan-2-yl)oxy carbonate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (2-methylpropan-2-yl)oxy carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.