CAS RN: 330203-55-9
2-Chloro-5,6-dihydro-4H-benzothiazol-7-one
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.20260123 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS330203-55-9
- Purity/Analytical Methods: >99.0%
330203-55-9 / 2-chloro-5,6-dihydro-4H-1,3-benzothiazol-7-one
Basic Information
CAS
330203-55-9
Multi CAS
No
Molecular Formula
C7H6CLNOS
Molecular Weight
187.650000
Exact Mass
186.985863
InChI
InChI=1S/C7H6ClNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2
InChIKey
RCGGPQVVBWADOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
H-bond acceptors
3
Molar refractivity
44.39
TPSA
29.96
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.22
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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