Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one
TL;DR: Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one (CAS 64394-28-1) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,11,11-trimethyl-3-oxatricyclo[6.4.0.02,7]dodecan-9-one
Also Known As: EINECS 264-866-3, 3,3,4a-Trimethyl-dodecahydro-biphenylen-1-ol, Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one, 5,5,7-trimethyl-9-oxatricyclo[6.4.0.02,7 ]dodecane-3-one, 7,7,8A-TRIMETHYL-DECAHYDRO-2H-1-OXABIPHENYLEN-5-ONE
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 2.8068 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 333.62704 |
Chemical Identifiers
| CAS Number | 64394-28-1 |
|---|---|
| SMILES | CC1(CC(=O)C2C3CCCOC3C2(C1)C)C |
Product Overview
Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one (CAS 64394-28-1), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1,11,11-trimethyl-3-oxatricyclo[6.4.0.02,7]dodecan-9-one.
Chemical Property Profile of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one
Property Insights of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one
The XLogP value of 2.8068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one 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 Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one?
The CAS number of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one is 64394-28-1.
What is the molecular formula of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one?
The molecular formula of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one is C14H22O2.
What is the molecular weight of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one?
The molecular weight of Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one is 222.16 g/mol.
Where can I buy Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one?
You can request a quote for Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-7,7,8a-trimethyl-2H-benzo(3,4)cyclobuta(1,2-b)pyran-5(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.