Butopyronoxyl
TL;DR: Butopyronoxyl (CAS 532-34-3) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate
Also Known As: Butopyronoxyl, INDALONE, Dihydropyrone, Indalon, BMOO
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| Boiling Point | 256-270 °C @ 760 mm Hg |
| Density | 1.052-1.060 @ 25 °C/25 °C |
| Solubility | Practically insol in water; miscible with alcohol, chloroform, ether, glacial acetic acid |
| Refractive Index | 1.4745-1.4755 @ 25 °C |
Chemical Identifiers
| CAS Number | 532-34-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=O)CC(O1)(C)C |
| InChIKey | OKIJSNGRQAOIGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butopyronoxyl (CAS 532-34-3), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate.
Chemical Property Profile of Butopyronoxyl
Property Insights of Butopyronoxyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butopyronoxyl. With a topological polar surface area (TPSA) of 52.6 Ų, Butopyronoxyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butopyronoxyl 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 Butopyronoxyl?
The CAS number of Butopyronoxyl is 532-34-3.
What is the molecular formula of Butopyronoxyl?
The molecular formula of Butopyronoxyl is C12H18O4.
What is the molecular weight of Butopyronoxyl?
The molecular weight of Butopyronoxyl is 226.12 g/mol.
Where can I buy Butopyronoxyl?
You can request a quote for Butopyronoxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butopyronoxyl?
Yes, KEHONG BIO provides custom synthesis services for Butopyronoxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.