![Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate structure](/static/products/2262/226250-06-2.webp)
Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate
TL;DR: Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate (CAS 226250-06-2) is a chemical compound with molecular formula C23H24O3 and molecular weight 348.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate
Also Known As: Ethyl 4-(((8R)-5,6,7,8-tetrahydro-8-hydroxy-5,5-dimethyl-2-naphthalenyl)ethynyl)benzoate, Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethyl-naphth-3-yl)ethynyl]benzoate, Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl ) ethynyl]benzoate, Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate, ethyl 4-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate
| Molecular Formula | C23H24O3 |
|---|---|
| Molecular Weight | 348.17 g/mol |
| LogP | 4.3679 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.17255 |
| Heavy Atoms | 26 |
| Complexity | 866.56134 |
Chemical Identifiers
| CAS Number | 226250-06-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3O)(C)C |
Product Overview
Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate (CAS 226250-06-2), with molecular formula C23H24O3 and molecular weight 348.17 g/mol. IUPAC: ethyl 4-[2-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethynyl]benzoate.
Chemical Property Profile of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate
Property Insights of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate
The XLogP value of 4.3679 indicates that Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate?
The CAS number of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate is 226250-06-2.
What is the molecular formula of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate?
The molecular formula of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate is C23H24O3.
What is the molecular weight of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate?
The molecular weight of Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate is 348.17 g/mol.
Where can I buy Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate?
You can request a quote for Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(5,6,7,8-tetrahydro-5-hydroxy-8,8-dimethylnaphth-3-yl)ethynyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.