CAS RN: 2703752-20-7

5-Propyl-1,8-naphthyridin-2(1H)-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2703752-20-7
  • Purity/Analytical Methods: >99.0%
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2703752-20-7 / 5-propyl-1H-1,8-naphthyridin-2-one

Standard CAS: 2703752-20-7 Multi CAS: No

Basic Information

CAS
2703752-20-7
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
CCCC1=C2C=CC(=O)NC2=NC=C1
InChI
InChI=1S/C11H12N2O/c1-2-3-8-6-7-12-11-9(8)4-5-10(14)13-11/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKey
BOOIILGKQNYDMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.36
TPSA
45.75

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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