2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime
TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime (CAS 13362-33-9) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitrosophenol
Also Known As: 2-Methyl-4-nitrosophenol, 4-Nitroso-o-cresol, 2-Methyl-p-benzoquinone 4-oxime, 5-Nitroso-2-cresol, p-nitroso-o-kresol
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 13362-33-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=O)O |
| InChIKey | PMTVEXBJLIRTEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime (CAS 13362-33-9), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 2-methyl-4-nitrosophenol.
Chemical Property Profile of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime
Property Insights of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime. With a topological polar surface area (TPSA) of 49.7 Ų, 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime has 1 hydrogen bond donor(s) and 3 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, 2-methyl-, 4-oxime?
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime is 13362-33-9.
What is the molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime?
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime is C7H7NO2.
What is the molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime?
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime is 137.05 g/mol.
Where can I buy 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime?
You can request a quote for 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-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, 2-methyl-, 4-oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadiene-1,4-dione, 2-methyl-, 4-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.