alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol
TL;DR: alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol (CAS 63141-79-7) is a chemical compound with molecular formula C13H14O and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methylhex-4-en-1-yn-3-yl)phenol
Also Known As: 4-(5-methylhex-4-en-1-yn-3-yl)phenol, Dimethylvinylethinyl-p-hydroxyphenylmethane, alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol, 4-(1-Ethynyl-3-methyl-2-butenyl)phenol, p-CRESOL, alpha-(2,2-DIMETHYLVINYL)-alpha-ETHYNYL-
| Molecular Formula | C13H14O |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.10446 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 63141-79-7 |
|---|---|
| SMILES | CC(=CC(C#C)C1=CC=C(C=C1)O)C |
| InChIKey | JOMYANSJBFOTPO-UHFFFAOYSA-N |
Product Overview
alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol (CAS 63141-79-7), with molecular formula C13H14O and molecular weight 186.10 g/mol. IUPAC: 4-(5-methylhex-4-en-1-yn-3-yl)phenol.
Chemical Property Profile of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol
Property Insights of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol
The XLogP value of 3.6 indicates that alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol has 1 hydrogen bond donor(s) and 1 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 alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol?
The CAS number of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol is 63141-79-7.
What is the molecular formula of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol?
The molecular formula of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol is C13H14O.
What is the molecular weight of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol?
The molecular weight of alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol is 186.10 g/mol.
Where can I buy alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol?
You can request a quote for alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2,2-Dimethylvinyl)-alpha-ethynyl-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.