CAS RN: 3425-89-6
1,2,3,6-Tetrahydro-4-methylphthalic anhydride
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260630 | 100g | In stock | Shanghai | Inquiry | |
| Batchno.20250414 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
| Batchno.20250304 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250706 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS3425-89-6
- Purity/Analytical Methods: >99.0%
3425-89-6 / 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Basic Information
CAS
3425-89-6
Multi CAS
Yes
Molecular Formula
C9H10O3
Molecular Weight
166.170000
Exact Mass
166.062994
InChI
InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
InChIKey
OEMSKMUAMXLNKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.56
H-bond acceptors
3
Molar refractivity
41.07
TPSA
43.37
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.99
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
2.5
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- CAS RN: 3427-45-0
- Product Code: SSC-140566
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