CAS RN: 90223-50-0
Benzothiazole, 4,5-diamino-2-methyl- (6CI,7CI)
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.20260225 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS90223-50-0
- Purity/Analytical Methods: >99.0%
90223-50-0 / 2-methyl-1,3-benzothiazole-4,5-diamine
Basic Information
CAS
90223-50-0
Multi CAS
No
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,9-10H2,1H3
InChIKey
WTJUOJNWXXWUTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.18
TPSA
64.93
LogP / Solubility
WLOGP
1.77
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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