Allyl tert-butoxy carbonate
TL;DR: Allyl tert-butoxy carbonate (CAS 89823-13-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylpropan-2-yl)oxy prop-2-enyl carbonate
Also Known As: allyl tert-butoxy carbonate, Allyl tert-butyl peroxycarbonate, allyl tert-butyl carbonoperoxoate, EINECS 265-881-8, TERT-BUTYLPEROXYALLYLCARBONATE
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 2.0557 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 156.93102 |
Chemical Identifiers
| CAS Number | 89823-13-2 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)OCC=C |
Product Overview
Allyl tert-butoxy carbonate (CAS 89823-13-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (2-methylpropan-2-yl)oxy prop-2-enyl carbonate.
Chemical Property Profile of Allyl tert-butoxy carbonate
Property Insights of Allyl tert-butoxy carbonate
The XLogP value of 2.0557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl tert-butoxy carbonate. With a topological polar surface area (TPSA) of 44.76 Ų, Allyl tert-butoxy carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl tert-butoxy 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 Allyl tert-butoxy carbonate?
The CAS number of Allyl tert-butoxy carbonate is 89823-13-2.
What is the molecular formula of Allyl tert-butoxy carbonate?
The molecular formula of Allyl tert-butoxy carbonate is C8H14O4.
What is the molecular weight of Allyl tert-butoxy carbonate?
The molecular weight of Allyl tert-butoxy carbonate is 174.09 g/mol.
Where can I buy Allyl tert-butoxy carbonate?
You can request a quote for Allyl tert-butoxy carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl tert-butoxy carbonate?
Yes, KEHONG BIO provides custom synthesis services for Allyl tert-butoxy carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.