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CAS 25948-11-2 5-NITRO-2-(N-PROPYLAMINO)PYRIDINE molecular structure lightbox
CAS RN: 25948-11-2

5-NITRO-2-(N-PROPYLAMINO)PYRIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS25948-11-2
  • Purity/Analytical Methods: >99.0%
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25948-11-2 / 5-nitro-N-propylpyridin-2-amine

Standard CAS: 25948-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25948-11-2
Multi CAS
No
Molecular Formula
C8H11N3O2
Molecular Weight
181.190000
Exact Mass
181.085127
SMILES
CCCNC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O2/c1-2-5-9-8-4-3-7(6-10-8)11(12)13/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKey
KZWODZHPEMBNTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.67
TPSA
68.06

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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