1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol
TL;DR: 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol (CAS 13857-13-1) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4R)-1-ethynyl-4-hydroperoxy-3,4-dihydro-2H-naphthalen-1-ol
Also Known As: EHTN, KST-1A1240, 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol, (1r,4r)-1-ethynyl-4-hydroperoxy-1,2,3,4-tetrahydronaphthalen-1-ol, (1R,4R)-1-ethynyl-4-hydroperoxy-3,4-dihydro-2H-naphthalen-1-ol
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
| SMILES | C#C[C@@]1(CC[C@H](C2=CC=CC=C21)OO)O |
| InChIKey | NHISTEWCIIGMKR-NEPJUHHUSA-N |
Chemical Property Profile of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol
Property Insights of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol. With a topological polar surface area (TPSA) of 49.7 Ų, 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol has 2 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 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol?
The CAS number of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol is 13857-13-1.
What is the molecular formula of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol?
The molecular formula of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol is C12H12O3.
What is the molecular weight of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol?
The molecular weight of 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol is 204.07864 g/mol.
Where can I buy 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol?
You can request a quote for 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol?
Yes, CoreyChem provides custom synthesis services for 1-Ethynyl-4-hydroperoxy-1,2,3,4-tetrahydro-1-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.