2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- (CAS 33739-60-5) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Also Known As: 3-Carboxy-tropolone, 3-Carboxytropolone, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 3-CARBOXY-2-HYDROXY-, 2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid, 7-(dihydroxymethylidene)cyclohepta-3,5-diene-1,2-dione
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 33739-60-5 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C=C1)O)C(=O)O |
| InChIKey | XSQOERZXJVUACX-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- (CAS 33739-60-5), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- has 2 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-carboxy-2-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- is 33739-60-5.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- is C8H6O4.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- is 166.03 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 3-carboxy-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-carboxy-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 3-carboxy-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.