![2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] structure](/static/products/1331/133164-64-4.webp)
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]
TL;DR: 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] (CAS 133164-64-4) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-chlorobenzenesulfonate
Also Known As: 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime], [(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-chlorobenzenesulfonate, 4-(4-chlorophenyl)sulfonyloxyimino-5-methyl-2-propan-2-yl-cyclohexa-2,5-dien-1-one, 4-{[(4-Chlorobenzene-1-sulfonyl)oxy]imino}-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.5127 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 818.1411 |
Chemical Identifiers
| CAS Number | 133164-64-4 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC1=NOS(=O)(=O)C2=CC=C(C=C2)Cl)C(C)C |
Product Overview
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] (CAS 133164-64-4), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: [(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 4-chlorobenzenesulfonate.
Chemical Property Profile of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]
Property Insights of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]
The XLogP value of 3.5127 indicates that 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]. Following Lipinski's Rule of Five, 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)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-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]?
The CAS number of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] is 133164-64-4.
What is the molecular formula of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]?
The molecular formula of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] is C16H16ClNO4S.
What is the molecular weight of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]?
The molecular weight of 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] is 353.05 g/mol.
Where can I buy 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]?
You can request a quote for 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)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-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime]?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-[(4-chlorophenyl)sulfonyl]oxime] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.