2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- (CAS 89647-85-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 2-Hydroxy-4-isopropyl-7-methoxytropone, J1.412.516G, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-, 2-hydroxy-3-methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one, 2-Hydroxy-4-isopropyl-7-methoxy-2,4,6-cycloheptatrien-1-one
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 89647-85-8 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=C(C=C1)OC)O |
| InChIKey | ZYYHMKILZXXIBU-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- (CAS 89647-85-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-hydroxy-3-methoxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- has 1 hydrogen bond donor(s) and 3 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, 2-hydroxy-7-methoxy-4-(1-methylethyl)-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- is 89647-85-8.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- is C11H14O3.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- is 194.09 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- 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, 2-hydroxy-7-methoxy-4-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-7-methoxy-4-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.