6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran
TL;DR: 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran (CAS 102828-05-7) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4aR,10bR)-3-hydroxy-2,2-dimethyl-4,4a,5,10b-tetrahydro-3H-benzo[h]chromen-6-one
Also Known As: 6-oxo-THDNP, KST-1A0535, (3r,4ar,10br)-3-hydroxy-2,2-dimethyl-3,4,4a,10b-tetrahydro-2h-benzo[h]chromen-6(5h)-one, 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran, (3R,4aR,10bR)-3-hydroxy-2,2-dimethyl-3H,4H,4aH,5H,10bH-naphtho(1,2-b)pyran-6-one
Technical Specifications
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | CC1([C@@H](C[C@@H]2CC(=O)C3=CC=CC=C3[C@@H]2O1)O)C |
| InChIKey | BXZMLPWGVQRDDD-CUOATXAZSA-N |
Chemical Property Profile of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran
Property Insights of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran?
The CAS number of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran is 102828-05-7.
What is the molecular formula of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran?
The molecular formula of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran is C15H18O3.
What is the molecular weight of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran?
The molecular weight of 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran is 246.1256 g/mol.
Where can I buy 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran?
You can request a quote for 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran?
Yes, CoreyChem provides custom synthesis services for 6-Oxo-3,4,4a,5-tetrahydro-3-hydroxy-2,2-dimethylnaphtho-1,2-pyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.