CAS RN: 3837-57-8
Acetaldehyde, 2-benzothiazolylhydrazone (6CI,7CI,8CI,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.20251107 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3837-57-8
- Purity/Analytical Methods: >99.0%
3837-57-8 / N-(ethylideneamino)-1,3-benzothiazol-2-amine
Basic Information
CAS
3837-57-8
Multi CAS
Yes
Molecular Formula
C9H9N3S
Molecular Weight
191.260000
Exact Mass
191.051718
InChI
InChI=1S/C9H9N3S/c1-2-10-12-9-11-7-5-3-4-6-8(7)13-9/h2-6H,1H3,(H,11,12)
InChIKey
QSKHQTIJTLKLOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.41
TPSA
37.28
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-1.96
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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