1-Ethynyl-2,7-dimethoxynaphthalene
TL;DR: 1-Ethynyl-2,7-dimethoxynaphthalene (CAS 130817-79-7) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethynyl-2,7-dimethoxynaphthalene
Also Known As: EDMN, 1-Ethynyl-2,7-dimethoxynaphthalene, Naphthalene,1-ethynyl-2,7-dimethoxy-, Naphthalene, 1-ethynyl-2,7-dimethoxy-
Technical Specifications
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.08372 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 Da |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
| SMILES | COC1=CC2=C(C=C1)C=CC(=C2C#C)OC |
| InChIKey | NNBINVCZPJUFLU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethynyl-2,7-dimethoxynaphthalene
Property Insights of 1-Ethynyl-2,7-dimethoxynaphthalene
The XLogP value of 3.4 indicates that 1-Ethynyl-2,7-dimethoxynaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-Ethynyl-2,7-dimethoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-2,7-dimethoxynaphthalene 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
What is the CAS number of 1-Ethynyl-2,7-dimethoxynaphthalene?
The CAS number of 1-Ethynyl-2,7-dimethoxynaphthalene is 130817-79-7.
What is the molecular formula of 1-Ethynyl-2,7-dimethoxynaphthalene?
The molecular formula of 1-Ethynyl-2,7-dimethoxynaphthalene is C14H12O2.
What is the molecular weight of 1-Ethynyl-2,7-dimethoxynaphthalene?
The molecular weight of 1-Ethynyl-2,7-dimethoxynaphthalene is 212.08372 g/mol.
Where can I buy 1-Ethynyl-2,7-dimethoxynaphthalene?
You can request a quote for 1-Ethynyl-2,7-dimethoxynaphthalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethynyl-2,7-dimethoxynaphthalene?
Yes, CoreyChem provides custom synthesis services for 1-Ethynyl-2,7-dimethoxynaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.