2,4,6-Cycloheptatrien-1-one, 4-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- (CAS 4636-39-9) is a chemical compound with molecular formula C7H6O2 and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: gamma-Tropolone, 4-Hydroxytropone, 5-Hydroxytropone, 4-hydroxy-cycloheptatrienone, 4-hydroxycyclohepta-2,4,6-trien-1-one
| Molecular Formula | C7H6O2 |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.03678 |
| Heavy Atoms | 9 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 4636-39-9 |
|---|---|
| SMILES | C1=CC(=O)C=CC(=C1)O |
| InChIKey | DTRXCAYCFNOXMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 4-hydroxy- (CAS 4636-39-9), with molecular formula C7H6O2 and molecular weight 122.04 g/mol. IUPAC: 4-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- 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 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- is 4636-39-9.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- is C7H6O2.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- is 122.04 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.