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CAS 96721-87-8 5-(4-aMinophenyl)pyridin-2-aMine molecular structure lightbox
CAS RN: 96721-87-8

5-(4-aMinophenyl)pyridin-2-aMine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250331 100mg / 250mg / 1g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: starshine_CAS96721-87-8
  • Purity/Analytical Methods: >99.0%
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96721-87-8 / 5-(4-aminophenyl)pyridin-2-amine

Standard CAS: 96721-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96721-87-8
Multi CAS
No
Molecular Formula
C11H11N3
Molecular Weight
185.220000
Exact Mass
185.095297
InChI
InChI=1S/C11H11N3/c12-10-4-1-8(2-5-10)9-3-6-11(13)14-7-9/h1-7H,12H2,(H2,13,14)
InChIKey
POOINQWSGKBKSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.5
TPSA
64.93

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.66
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.49

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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