2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) (CAS 120-52-5) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate
Also Known As: Rhenocure BQ, Vulnoc DGM, Dilbenzo P Q D, Dibenzo G-M-F, Quinone dioxime dibenzoate
| Molecular Formula | C20H14N2O4 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.09537 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 120-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)ON=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2 |
| InChIKey | WMVSVUVZSYRWIY-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) (CAS 120-52-5), with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol. IUPAC: [(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
The XLogP value of 4.1 indicates that 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime). Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) has 0 hydrogen bond donor(s) and 6 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 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) is 120-52-5.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) is C20H14N2O4.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) is 346.10 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.