3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime
TL;DR: 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime (CAS 2297-69-0) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4,5-dioxocyclohepta-2,6-dien-1-ylidene)amino] acetate
Also Known As: 3,6-CYCLOHEPTADIENE-1,2,5-TRIONE, 5-O-ACETYLOXIME, 4-07-00-02765 (Beilstein Handbook Reference), J1.398.711D, [(4,5-dioxocyclohepta-2,6-dien-1-ylidene)amino] acetate, 5-(acetoxyimino)cyclohepta-3,6-diene-1,2-dione
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 2297-69-0 |
|---|---|
| SMILES | CC(=O)ON=C1C=CC(=O)C(=O)C=C1 |
| InChIKey | VKYWUUUJICLJFK-UHFFFAOYSA-N |
Product Overview
3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime (CAS 2297-69-0), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: [(4,5-dioxocyclohepta-2,6-dien-1-ylidene)amino] acetate.
Chemical Property Profile of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime
Property Insights of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime. Following Lipinski's Rule of Five, 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime has 0 hydrogen bond donor(s) and 5 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 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime?
The CAS number of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime is 2297-69-0.
What is the molecular formula of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime?
The molecular formula of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime is C9H7NO4.
What is the molecular weight of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime?
The molecular weight of 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime is 193.04 g/mol.
Where can I buy 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime?
You can request a quote for 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Cycloheptadiene-1,2,5-trione, 5-O-acetyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.