CAS RN: 5279-34-5
1,3-Benzodioxole, 5-(ethylthio)-
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.20250730 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5279-34-5
- Purity/Analytical Methods: >99.0%
5279-34-5 / 5-ethylsulfanyl-1,3-benzodioxole
Basic Information
CAS
5279-34-5
Multi CAS
No
Molecular Formula
C9H10O2S
Molecular Weight
182.240000
Exact Mass
182.040151
InChI
InChI=1S/C9H10O2S/c1-2-12-7-3-4-8-9(5-7)11-6-10-8/h3-5H,2,6H2,1H3
InChIKey
WZDLXSPXDIKODX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.96
TPSA
18.46
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-2.04
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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