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CAS 91004-61-4 8-HYDRAZINOQUINOLINE molecular structure lightbox
CAS RN: 91004-61-4

8-HYDRAZINOQUINOLINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS91004-61-4
  • Purity/Analytical Methods: >99.0%
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91004-61-4 / quinolin-8-ylhydrazine;hydrochloride

Standard CAS: 91004-61-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91004-61-4
Multi CAS
Yes
Molecular Formula
C9H10CLN3
Molecular Weight
195.650000
Exact Mass
195.056325
InChI
InChI=1S/C9H9N3.ClH/c10-12-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6,12H,10H2;1H
InChIKey
IBUQWIREEMZFJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.8
TPSA
50.94

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.53

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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