CAS RN: 70066-70-5
2-Benzothiazolamine,5-ethoxy-(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.20250306 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70066-70-5
- Purity/Analytical Methods: >99.0%
70066-70-5 / 5-ethoxy-1,3-benzothiazol-2-amine
Basic Information
CAS
70066-70-5
Multi CAS
No
Molecular Formula
C9H10N2OS
Molecular Weight
194.260000
Exact Mass
194.051384
InChI
InChI=1S/C9H10N2OS/c1-2-12-6-3-4-8-7(5-6)11-9(10)13-8/h3-5H,2H2,1H3,(H2,10,11)
InChIKey
MNJJTXUPEWJFRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.2
TPSA
48.14
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.8
Consensus LogP
2.36
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
