Isobutyloxirane
TL;DR: Isobutyloxirane (CAS 23850-78-4) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)oxirane
Also Known As: Isobutyloxirane, 2-(2-methylpropyl)oxirane, 2-Isobutyloxirane, 2-isobutyl-oxirane, 4-methyl-epoxypentane
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 23850-78-4 |
|---|---|
| SMILES | CC(C)CC1CO1 |
| InChIKey | YXIOECOAAMLHPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyloxirane (CAS 23850-78-4), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-(2-methylpropyl)oxirane.
Chemical Property Profile of Isobutyloxirane
Property Insights of Isobutyloxirane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, Isobutyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyloxirane has 0 hydrogen bond donor(s) and 1 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 Isobutyloxirane?
The CAS number of Isobutyloxirane is 23850-78-4.
What is the molecular formula of Isobutyloxirane?
The molecular formula of Isobutyloxirane is C6H12O.
What is the molecular weight of Isobutyloxirane?
The molecular weight of Isobutyloxirane is 100.09 g/mol.
Where can I buy Isobutyloxirane?
You can request a quote for Isobutyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyloxirane?
Yes, KEHONG BIO provides custom synthesis services for Isobutyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.