![CAS 1969297-97-9 2- [2- [2- [1- (2- benzothiazolyl) hydrazinyl] ethoxy] ethoxy] -Ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1969297-97-9.gif)
CAS RN: 1969297-97-9
2- [2- [2- [1- (2- benzothiazolyl) hydrazinyl] ethoxy] ethoxy] -Ethanol
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.20250211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1969297-97-9
- Purity/Analytical Methods: >99.0%
1969297-97-9 / 2-[2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethoxy]ethanol
Basic Information
CAS
1969297-97-9
Multi CAS
No
Molecular Formula
C13H19N3O3S
Molecular Weight
297.380000
Exact Mass
297.114713
SMILES
C1=CC=C2C(=C1)N=C(S2)N(CCOCCOCCO)N
InChI
InChI=1S/C13H19N3O3S/c14-16(5-7-18-9-10-19-8-6-17)13-15-11-3-1-2-4-12(11)20-13/h1-4,17H,5-10,14H2
InChIKey
VWPHMMFNTFCSKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
79.88
TPSA
80.84
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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