CAS RN: 65948-20-1
2-Benzothiazolamine,6-butyl-(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.20250414 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65948-20-1
- Purity/Analytical Methods: >99.0%
65948-20-1 / 6-butyl-1,3-benzothiazol-2-amine
Basic Information
CAS
65948-20-1
Multi CAS
No
Molecular Formula
C11H14N2S
Molecular Weight
206.310000
Exact Mass
206.087770
InChI
InChI=1S/C11H14N2S/c1-2-3-4-8-5-6-9-10(7-8)14-11(12)13-9/h5-7H,2-4H2,1H3,(H2,12,13)
InChIKey
GFGBNISGCXRRGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.64
TPSA
38.91
LogP / Solubility
WLOGP
3.22
MLOGP
2.84
XLogP3
3.9
Consensus LogP
3.32
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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