CAS RN: 886362-87-4

2-(1,8-naphthyridin-2-yl)ethan-1-ol

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  • Product code: starshine_CAS886362-87-4
  • Purity/Analytical Methods: >99.0%
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886362-87-4 / 2-(1,8-naphthyridin-2-yl)ethanol

Standard CAS: 886362-87-4 Multi CAS: No

Basic Information

CAS
886362-87-4
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c13-7-5-9-4-3-8-2-1-6-11-10(8)12-9/h1-4,6,13H,5,7H2
InChIKey
VUBXIPMQFDHNTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.33
TPSA
46.01

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-2.96

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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