2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- (CAS 690233-45-5) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-3-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one
Also Known As: 2-ethoxy-3-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-, 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- (9CI)
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.45952 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 357.84494 |
Chemical Identifiers
| CAS Number | 690233-45-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=CC1=O)C)O |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- (CAS 690233-45-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-ethoxy-3-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-
The XLogP value of 1.45952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-. With a topological polar surface area (TPSA) of 46.53 Ų, 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- 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-ethoxy-3-hydroxy-6-methyl-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- is 690233-45-5.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- is C10H12O3.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- is 180.08 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- 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-ethoxy-3-hydroxy-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-ethoxy-3-hydroxy-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.