2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one
TL;DR: 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one (CAS 690233-50-2) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-4-methylcyclohepta-2,4,6-trien-1-one
Also Known As: 2,3-dihydroxy-4-methylcyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2,3-dihydroxy-7-methyl-, 2,7-dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2,3-dihydroxy-7-methyl- (9CI)
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.76642 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 330.6636 |
Chemical Identifiers
| CAS Number | 690233-50-2 |
|---|---|
| SMILES | CC1=CC=CC(=O)C(=C1O)O |
Product Overview
2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one (CAS 690233-50-2), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2,3-dihydroxy-4-methylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one
Property Insights of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one
The XLogP value of 0.76642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 57.53 Ų, 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one has 2 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 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one?
The CAS number of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one is 690233-50-2.
What is the molecular formula of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one?
The molecular formula of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one is C8H8O3.
What is the molecular weight of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one?
The molecular weight of 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one is 152.05 g/mol.
Where can I buy 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one?
You can request a quote for 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dihydroxy-3-methyl-cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.