4-Cyclohepta-2,4,6-trienyl-phenol
TL;DR: 4-Cyclohepta-2,4,6-trienyl-phenol (CAS 91902-42-0) is a chemical compound with molecular formula C13H12O and molecular weight 184.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclohepta-2,4,6-trien-1-ylphenol
Also Known As: 4-Cyclohepta-2,4,6-trienyl-phenol, 4-cyclohepta-2,4,6-trien-1-ylphenol, Phenol, 4-(2,4,6-cycloheptatrien-1-yl)-, 4-(2,4,6-Cycloheptatrien-1-yl)phenol #, 4-(CYCLOHEPTA-2,4,6-TRIEN-1-YL)PHENOL
| Molecular Formula | C13H12O |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.08882 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 91902-42-0 |
|---|---|
| SMILES | C1=CC=CC(C=C1)C2=CC=C(C=C2)O |
| InChIKey | ADJMYENFFLWKGT-UHFFFAOYSA-N |
Product Overview
4-Cyclohepta-2,4,6-trienyl-phenol (CAS 91902-42-0), with molecular formula C13H12O and molecular weight 184.09 g/mol. IUPAC: 4-cyclohepta-2,4,6-trien-1-ylphenol.
Chemical Property Profile of 4-Cyclohepta-2,4,6-trienyl-phenol
Property Insights of 4-Cyclohepta-2,4,6-trienyl-phenol
The XLogP value of 3.8 indicates that 4-Cyclohepta-2,4,6-trienyl-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Cyclohepta-2,4,6-trienyl-phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyclohepta-2,4,6-trienyl-phenol 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 4-Cyclohepta-2,4,6-trienyl-phenol?
The CAS number of 4-Cyclohepta-2,4,6-trienyl-phenol is 91902-42-0.
What is the molecular formula of 4-Cyclohepta-2,4,6-trienyl-phenol?
The molecular formula of 4-Cyclohepta-2,4,6-trienyl-phenol is C13H12O.
What is the molecular weight of 4-Cyclohepta-2,4,6-trienyl-phenol?
The molecular weight of 4-Cyclohepta-2,4,6-trienyl-phenol is 184.09 g/mol.
Where can I buy 4-Cyclohepta-2,4,6-trienyl-phenol?
You can request a quote for 4-Cyclohepta-2,4,6-trienyl-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohepta-2,4,6-trienyl-phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohepta-2,4,6-trienyl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.