![2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] structure](/static/products/3216/321695-58-3.webp)
2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]
TL;DR: 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] (CAS 321695-58-3) is a chemical compound with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate
Also Known As: 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime], 4-(4-bromophenyl)sulfonyloxyimino-2,6-dimethyl-cyclohexa-2,5-dien-1-one, (3,5-dimethyl-4-oxocyclohexa-2,5-dienylidene)azamethyl 4-bromobenzenesulfonate, [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate, 4-{[(4-Bromobenzene-1-sulfonyl)oxy]imino}-2,6-dimethylcyclohexa-2,5-dien-1-one
| Molecular Formula | C14H12BrNO4S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 2.9857 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.96704 |
| Heavy Atoms | 21 |
| Complexity | 749.69696 |
Chemical Identifiers
| CAS Number | 321695-58-3 |
|---|---|
| SMILES | CC1=CC(=NOS(=O)(=O)C2=CC=C(C=C2)Br)C=C(C1=O)C |
Product Overview
2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] (CAS 321695-58-3), with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol. IUPAC: [(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-bromobenzenesulfonate.
Chemical Property Profile of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]
Property Insights of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]
The XLogP value of 2.9857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]. Following Lipinski's Rule of Five, 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]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 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]?
The CAS number of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] is 321695-58-3.
What is the molecular formula of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]?
The molecular formula of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] is C14H12BrNO4S.
What is the molecular weight of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]?
The molecular weight of 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] is 368.97 g/mol.
Where can I buy 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]?
You can request a quote for 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime]?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione 4-[O-[(4-bromophenyl)sulfonyl]oxime] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.