Deterrol
TL;DR: Deterrol (CAS 113393-59-2) is a chemical compound with molecular formula C15H16O and molecular weight 212.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanol
Also Known As: Deterrol, (4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanol, 7-Isopropenyl-4-methyl-1-azulenemethanol, 4-Methyl-7-(1-methylethenyl)-1-azulenemethanol, 1-Azulenemethanol, 4-methyl-7-(1-methylethenyl)-
Technical Specifications
| Molecular Formula | C15H16O |
| Molecular Weight | 212.12012 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.12012 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| Melting Point | 100 - 101 °C |
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)CO |
| InChIKey | UELYVRHCROBZCL-UHFFFAOYSA-N |
Chemical Property Profile of Deterrol
Property Insights of Deterrol
The XLogP value of 3.8 indicates that Deterrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Deterrol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deterrol 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
What is the CAS number of Deterrol?
The CAS number of Deterrol is 113393-59-2.
What is the molecular formula of Deterrol?
The molecular formula of Deterrol is C15H16O.
What is the molecular weight of Deterrol?
The molecular weight of Deterrol is 212.12012 g/mol.
Where can I buy Deterrol?
You can request a quote for Deterrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Deterrol?
Yes, CoreyChem provides custom synthesis services for Deterrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.