CAS RN: 474123-23-4

Benzothiazole, 6-hydrazino- (9CI)

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  • Product code: starshine_CAS474123-23-4
  • Purity/Analytical Methods: >99.0%
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474123-23-4 / 1,3-benzothiazol-6-ylhydrazine

Standard CAS: 474123-23-4 Multi CAS: No

Basic Information

CAS
474123-23-4
Multi CAS
No
Molecular Formula
C7H7N3S
Molecular Weight
165.220000
Exact Mass
165.036068
InChI
InChI=1S/C7H7N3S/c8-10-5-1-2-6-7(3-5)11-4-9-6/h1-4,10H,8H2
InChIKey
YCBADNCPPCCTIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.43
TPSA
50.94

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.6

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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