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CAS 91396-88-2 PluriSIn 1 molecular structure lightbox
CAS RN: 91396-88-2

PluriSIn 1

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8 package records8 with current stock1 grade group
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Batchno.20250309 100mg In stock Shanghai Inquiry
Batchno.20260222 10mg In stock Shanghai Inquiry
Batchno.20260401 1g In stock Shanghai Inquiry
Batchno.20250216 1mg In stock Shanghai Inquiry
Batchno.20260625 250mg In stock Shanghai Inquiry
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Batchno.20250719 5mg In stock Shanghai Inquiry
  • Product code: ICTI0975
  • Purity/Analytical Methods: >98.0%(HPLC)
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91396-88-2 / N'-phenylpyridine-4-carbohydrazide

Standard CAS: 91396-88-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91396-88-2
Multi CAS
Yes
Molecular Formula
C12H11N3O
Molecular Weight
213.230000
Exact Mass
213.090212
InChI
InChI=1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)
InChIKey
HUDWXDLBWRHCKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.77
TPSA
54.02

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2
Consensus LogP
1.82
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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