CAS RN: 26267-89-0

3,4-Dihydro-2H-pyrano[2,3-b]pyridine

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  • Product code: starshine_CAS26267-89-0
  • Purity/Analytical Methods: >99.0%
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26267-89-0 / 3,4-dihydro-2H-pyrano[2,3-b]pyridine

Standard CAS: 26267-89-0 Multi CAS: No

Basic Information

CAS
26267-89-0
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
C1CC2=C(N=CC=C2)OC1
InChI
InChI=1S/C8H9NO/c1-3-7-4-2-6-10-8(7)9-5-1/h1,3,5H,2,4,6H2
InChIKey
VXFMNHKLXSDLKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
Molar refractivity
38.05
TPSA
22.12

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.55

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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