![Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate structure](/static/products/2262/226250-14-2.webp)
Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
TL;DR: Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate (CAS 226250-14-2) is a chemical compound with molecular formula C28H32O4 and molecular weight 432.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
Also Known As: Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate, Benzoic acid, 4-(((8R)-5,6,7,8-tetrahydro-5,5-dimethyl-8-(((2R)-tetrahydro-2H-pyran-2-yl)oxy)-2-naphthalenyl)ethynyl)-, ethyl ester, Benzoic acid, 4-(((8S)-5,6,7,8-tetrahydro-5,5-dimethyl-8-(((2R)-tetrahydro-2H-pyran-2-yl)oxy)-2-naphthalenyl)ethynyl)-, ethyl ester, Benzoic acid, 4-(((8S)-5,6,7,8-tetrahydro-5,5-dimethyl-8-(((2S)-tetrahydro-2H-pyran-2-yl)oxy)-2-naphthalenyl)ethynyl)-, ethyl ester
| Molecular Formula | C28H32O4 |
|---|---|
| Molecular Weight | 432.23 g/mol |
| LogP | 5.9188 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.23007 |
| Heavy Atoms | 32 |
| Complexity | 1003.96326 |
Chemical Identifiers
| CAS Number | 226250-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3OC4CCCCO4)(C)C |
Product Overview
Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate (CAS 226250-14-2), with molecular formula C28H32O4 and molecular weight 432.23 g/mol. IUPAC: ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate.
Chemical Property Profile of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
Property Insights of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate
The XLogP value of 5.9188 indicates that Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate?
The CAS number of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate is 226250-14-2.
What is the molecular formula of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate?
The molecular formula of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate is C28H32O4.
What is the molecular weight of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate?
The molecular weight of Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate is 432.23 g/mol.
Where can I buy Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate?
You can request a quote for Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-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-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-[5,5-dimethyl-8-(oxan-2-yloxy)-7,8-dihydro-6H-naphthalen-2-yl]ethynyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.