![CAS 321688-88-4 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/321688-88-4.gif)
CAS RN: 321688-88-4
2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione 1-[O-(2-methylbenzoyl)oxime]
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251110 | 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250101 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260220 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251112 | 1g | Out of stock | Inquiry | ||
| Batchno.20250118 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260415 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260304 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250912 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS321688-88-4
- Purity/Analytical Methods: >99.0%
321688-88-4 / [(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Basic Information
CAS
321688-88-4
Multi CAS
Yes
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
InChI
InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
InChIKey
CMOJHDQJJPIVEC-MNDPQUGUSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
85.71
TPSA
55.73
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
3.9
Consensus LogP
3.57
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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