CAS RN: 5333-84-6
3-Methyl-4-cyclohexene-1,2-dicarboxylic Anhydride
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-160618
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
5333-84-6 / 4-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Basic Information
CAS
5333-84-6
Multi CAS
Yes
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3
InChIKey
XPEKVUUBSDFMDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.56
H-bond acceptors
3
Molar refractivity
41
TPSA
43.37
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 760-93-0 Methacrylic Anhydride [stabilized with 1,1,3-Tris(3-tert-butyl-4-hydroxy-6-methylphenyl)butane] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m3139-jpgcontextbwfzdgvyfhjvb3r8mze3njh8aw1hz2uvanblz3xootevagmxlzg5mze2mtk3mda3njyvttmxmzkuanbnfdbimda2ywyym2jknje0mdk5ngi1mtriytdkodhjmzq1zjc2yjnlymjmotq2yzfhnzhizge5mmq0mjjimgzkyzm.jpeg)
