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CAS 15935-95-2 2-Amino-[1,8]naphthyridine-3-carbonitrile, solid molecular structure lightbox
CAS RN: 15935-95-2

2-Amino-[1,8]naphthyridine-3-carbonitrile, solid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINA921598
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15935-95-2 / 2-amino-1,8-naphthyridine-3-carbonitrile

Standard CAS: 15935-95-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15935-95-2
Multi CAS
No
Molecular Formula
C9H6N4
Molecular Weight
170.170000
Exact Mass
170.059246
SMILES
C1=CC2=CC(=C(N=C2N=C1)N)C#N
InChI
InChI=1S/C9H6N4/c10-5-7-4-6-2-1-3-12-9(6)13-8(7)11/h1-4H,(H2,11,12,13)
InChIKey
OAKUSQCSHYQNHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.67
TPSA
75.59

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.4
Consensus LogP
1.14
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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