4,6-Cycloheptadiene-1,2,3-trione
TL;DR: 4,6-Cycloheptadiene-1,2,3-trione (CAS 214217-86-4) is a chemical compound with molecular formula C7H4O3 and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohepta-4,6-diene-1,2,3-trione
Also Known As: o-Tropoquinone, 4,6-Cycloheptadiene-1,2,3-trione, cyclohepta-4,6-diene-1,2,3-trione, ORTHO-HYDROXY ATORVASTATIN, cyclohepta-2,4-diene-1,6,7-trione
| Molecular Formula | C7H4O3 |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.01604 |
| Heavy Atoms | 10 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 214217-86-4 |
|---|---|
| SMILES | C1=CC(=O)C(=O)C(=O)C=C1 |
| InChIKey | UGFGWIUDRSCMLA-UHFFFAOYSA-N |
Product Overview
4,6-Cycloheptadiene-1,2,3-trione (CAS 214217-86-4), with molecular formula C7H4O3 and molecular weight 136.02 g/mol. IUPAC: cyclohepta-4,6-diene-1,2,3-trione.
Chemical Property Profile of 4,6-Cycloheptadiene-1,2,3-trione
Property Insights of 4,6-Cycloheptadiene-1,2,3-trione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Cycloheptadiene-1,2,3-trione. With a topological polar surface area (TPSA) of 51.2 Ų, 4,6-Cycloheptadiene-1,2,3-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Cycloheptadiene-1,2,3-trione has 0 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 4,6-Cycloheptadiene-1,2,3-trione?
The CAS number of 4,6-Cycloheptadiene-1,2,3-trione is 214217-86-4.
What is the molecular formula of 4,6-Cycloheptadiene-1,2,3-trione?
The molecular formula of 4,6-Cycloheptadiene-1,2,3-trione is C7H4O3.
What is the molecular weight of 4,6-Cycloheptadiene-1,2,3-trione?
The molecular weight of 4,6-Cycloheptadiene-1,2,3-trione is 136.02 g/mol.
Where can I buy 4,6-Cycloheptadiene-1,2,3-trione?
You can request a quote for 4,6-Cycloheptadiene-1,2,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Cycloheptadiene-1,2,3-trione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Cycloheptadiene-1,2,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.