CAS RN: 15675-06-6
1,3-Benzodioxole, 5,6-dimethyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260430 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS15675-06-6
- Purity/Analytical Methods: >99.0%
15675-06-6 / 5,6-dimethyl-1,3-benzodioxole
Basic Information
CAS
15675-06-6
Multi CAS
No
Molecular Formula
C9H10O2
Molecular Weight
150.170000
Exact Mass
150.068080
SMILES
CC1=CC2=C(C=C1C)OCO2
InChI
InChI=1S/C9H10O2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-4H,5H2,1-2H3
InChIKey
MGZFIGITZDAXPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
42.04
TPSA
18.46
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.5
Consensus LogP
2.1
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 15679-24-0
- Product Code: starshine_CAS15679-24-0
- Purity/Analytical method: >99.0%
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