![[(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate structure](/static/products/1588/158868-64-5.webp)
[(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate
TL;DR: [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate (CAS 158868-64-5) is a chemical compound with molecular formula C13H8ClNO3 and molecular weight 261.01926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate
Also Known As: benzo-1,4-quinone O-(3-chlorobenzoyl)oxime, 2,5-Cyclohexadiene-1,4-dione, 1-[O-(3-chlorobenzoyl)oxime], [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate, (4-oxocyclohexa-2,5-dienylidene)azamethyl 3-chlorobenzoate, 4-{[(3-Chlorobenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
Technical Specifications
| Molecular Formula | C13H8ClNO3 |
| Molecular Weight | 261.01926 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.01926 Da |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)ON=C2C=CC(=O)C=C2 |
| InChIKey | DJJLENOATNXMRD-UHFFFAOYSA-N |
Chemical Property Profile of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate
Property Insights of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate. With a topological polar surface area (TPSA) of 55.7 Ų, [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate?
The CAS number of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate is 158868-64-5.
What is the molecular formula of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate?
The molecular formula of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate is C13H8ClNO3.
What is the molecular weight of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate?
The molecular weight of [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate is 261.01926 g/mol.
Where can I buy [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate?
You can request a quote for [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for [(4-Oxocyclohexa-2,5-dien-1-ylidene)amino] 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.