CAS RN: 84108-98-5
2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-Dioxide
- Product code: SSC-191698
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
84108-98-5 / 3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Basic Information
CAS
84108-98-5
Multi CAS
No
Molecular Formula
C8H9NO2S
Molecular Weight
183.230000
Exact Mass
183.035400
InChI
InChI=1S/C8H9NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-6,9H,1H3
InChIKey
WZOKMILQIPCVQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.18
TPSA
46.17
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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
Leadlikeness
No
Synthetic Accessibility
2
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