(1-Methylbutyl)oxirane
TL;DR: (1-Methylbutyl)oxirane (CAS 53229-39-3) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-2-yloxirane
Also Known As: 2-(pentan-2-yl)oxirane, 2-pentan-2-yloxirane, Oxirane, -, 1-Methylbutyloxirane, (1-METHYLBUTYL)OXIRANE
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 53229-39-3 |
|---|---|
| SMILES | CCCC(C)C1CO1 |
| InChIKey | YJNBGESTCBYXQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Methylbutyl)oxirane (CAS 53229-39-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 2-pentan-2-yloxirane.
Chemical Property Profile of (1-Methylbutyl)oxirane
Property Insights of (1-Methylbutyl)oxirane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methylbutyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, (1-Methylbutyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylbutyl)oxirane 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 (1-Methylbutyl)oxirane?
The CAS number of (1-Methylbutyl)oxirane is 53229-39-3.
What is the molecular formula of (1-Methylbutyl)oxirane?
The molecular formula of (1-Methylbutyl)oxirane is C7H14O.
What is the molecular weight of (1-Methylbutyl)oxirane?
The molecular weight of (1-Methylbutyl)oxirane is 114.10 g/mol.
Where can I buy (1-Methylbutyl)oxirane?
You can request a quote for (1-Methylbutyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methylbutyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for (1-Methylbutyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.