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CAS 1246088-66-3 3-Allyl-1,5-naphthyridine molecular structure lightbox
CAS RN: 1246088-66-3

3-Allyl-1,5-naphthyridine

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251204 1g Out of stock Inquiry
Batchno.20251010 250mg Out of stock Inquiry
Batchno.20250314 50mg In stock Inquiry
  • Product code: starshine_CAS1246088-66-3
  • Purity/Analytical Methods: >99.0%
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1246088-66-3 / 3-prop-2-enyl-1,5-naphthyridine

Standard CAS: 1246088-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246088-66-3
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
C=CCC1=CC2=C(C=CC=N2)N=C1
InChI
InChI=1S/C11H10N2/c1-2-4-9-7-11-10(13-8-9)5-3-6-12-11/h2-3,5-8H,1,4H2
InChIKey
PIBDYTSYVSHOPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.44
TPSA
25.78

LogP / Solubility

WLOGP
2.36
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.08

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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