4,5-Dihydroxycyclohepta-2,4,6-trien-1-one
TL;DR: 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one (CAS 15852-34-3) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 5-Hydroxytropolone, 4,5-dihydroxycyclohepta-2,4,6-trien-1-one, 2,5-Dihydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2,5-DIHYDROXY-, 2,5-Dihydroxy-2,4,6-cyclohepta-triene-1-one
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 15852-34-3 |
|---|---|
| SMILES | C1=CC(=C(C=CC1=O)O)O |
| InChIKey | RHKLONPUIWSHCD-UHFFFAOYSA-N |
Product Overview
4,5-Dihydroxycyclohepta-2,4,6-trien-1-one (CAS 15852-34-3), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 4,5-dihydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one
Property Insights of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydroxycyclohepta-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 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one?
The CAS number of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one is 15852-34-3.
What is the molecular formula of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one is C7H6O3.
What is the molecular weight of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one is 138.03 g/mol.
Where can I buy 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 4,5-Dihydroxycyclohepta-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 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydroxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.