![2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] structure](/static/products/1831/1831-69-2.webp)
2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] (CAS 1831-69-2) is a chemical compound with molecular formula C12H9NO4S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Also Known As: p-Benzoquinone O-(phenylsulfonyl)oxime, BAS 01122021, p-Benzoquinone, O-(phenylsulfonyl)oxime, 4-[[(Phenylsulfonyl)oxy]imino]-2,5-cyclohexadien-1-one, [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
| Molecular Formula | C12H9NO4S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02524 |
| Heavy Atoms | 18 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 1831-69-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C=C2 |
| InChIKey | JOSADQDTFOIECX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] (CAS 1831-69-2), with molecular formula C12H9NO4S and molecular weight 263.03 g/mol. IUPAC: [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] 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 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] is 1831-69-2.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] is C12H9NO4S.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] is 263.03 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime]?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] 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-[O-(phenylsulfonyl)oxime]?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 1-[O-(phenylsulfonyl)oxime] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.