2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one
TL;DR: 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one (CAS 5434-44-6) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: Beta-dolabrin, Dolabrin, I2-Dolabrin, 4-Isopropenyl-tropolon, 4-isopro-penyltropolone
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5434-44-6 |
|---|---|
| SMILES | CC(=C)C1=CC(=O)C(=CC=C1)O |
| InChIKey | ZXPADFNEYYDQFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one (CAS 5434-44-6), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 2-hydroxy-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one
Property Insights of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one has 1 hydrogen bond donor(s) and 2 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 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one?
The CAS number of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one is 5434-44-6.
What is the molecular formula of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one?
The molecular formula of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one is C10H10O2.
What is the molecular weight of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one?
The molecular weight of 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one is 162.07 g/mol.
Where can I buy 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one?
You can request a quote for 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.