CAS RN: 4433-52-7
benzothiazoline
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.20251225 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4433-52-7
- Purity/Analytical Methods: >99.0%
4433-52-7 / 2,3-dihydro-1,3-benzothiazole
Basic Information
CAS
4433-52-7
Multi CAS
Yes
Molecular Formula
C7H7NS
Molecular Weight
137.200000
Exact Mass
137.029920
InChI
InChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2
InChIKey
WOHLSTOWRAOMSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.79
TPSA
12.03
LogP / Solubility
WLOGP
2.16
MLOGP
1.89
XLogP3
2.3
Consensus LogP
2.12
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
