2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- (CAS 69432-64-0) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3,4-dimethoxycyclohepta-2,4,6-trien-1-one
Also Known As: 3,4-Dimethoxytropolone, 3,4-Dimethoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 3,4-DIMETHOXY-2-HYDROXY-, 2-hydroxy-3,4-dimethoxycyclohepta-2,4,6-trien-1-one, BRN 5334120
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 69432-64-0 |
|---|---|
| SMILES | COC1=CC=CC(=O)C(=C1OC)O |
| InChIKey | ZHEQVNREZDYECH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- (CAS 69432-64-0), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 2-hydroxy-3,4-dimethoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-. With a topological polar surface area (TPSA) of 55.8 Ų, 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- has 1 hydrogen bond donor(s) and 4 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, 3,4-dimethoxy-2-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- is 69432-64-0.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- is C9H10O4.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- is 182.06 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-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, 3,4-dimethoxy-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 3,4-dimethoxy-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.