β-异丙基-β-丙内酯
TL;DR: β-异丙基-β-丙内酯 (CAS 10359-02-1) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-异丙基-β-丙内酯
3-propan-2-yloxetan-2-one
Also Known As: 3-propan-2-yloxetan-2-one, beta-Isopropyl-beta-propiolactone, 4-Isopropyl-oxetan-2-on, 3-(Propan-2-yl)oxetan-2-one
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 10359-02-1 |
|---|---|
| SMILES | CC(C)C1COC1=O |
| InChIKey | JFLMBMOAMWVCRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-异丙基-β-丙内酯 (CAS 10359-02-1), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 3-propan-2-yloxetan-2-one.
Chemical Property Profile of β-异丙基-β-丙内酯
Property Insights of β-异丙基-β-丙内酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-异丙基-β-丙内酯. With a topological polar surface area (TPSA) of 26.3 Ų, β-异丙基-β-丙内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-异丙基-β-丙内酯 has 0 hydrogen bond donor(s) and 2 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 β-异丙基-β-丙内酯?
The CAS number of β-异丙基-β-丙内酯 is 10359-02-1.
What is the molecular formula of β-异丙基-β-丙内酯?
The molecular formula of β-异丙基-β-丙内酯 is C6H10O2.
What is the molecular weight of β-异丙基-β-丙内酯?
The molecular weight of β-异丙基-β-丙内酯 is 114.07 g/mol.
Where can I buy β-异丙基-β-丙内酯?
You can request a quote for β-异丙基-β-丙内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-异丙基-β-丙内酯?
Yes, KEHONG BIO provides custom synthesis services for β-异丙基-β-丙内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.