CAS RN: 637775-69-0
Benzothiazole, 5,6-dimethyl- (9CI)
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.20250111 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS637775-69-0
- Purity/Analytical Methods: >99.0%
637775-69-0 / 5,6-dimethyl-1,3-benzothiazole
Basic Information
CAS
637775-69-0
Multi CAS
No
Molecular Formula
C9H9NS
Molecular Weight
163.240000
Exact Mass
163.045570
InChI
InChI=1S/C9H9NS/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3
InChIKey
QMUXKZBRYRPIPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
49.09
TPSA
12.89
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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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