CAS RN: 475152-16-0

Spiro[furo[3,4-c]pyridine-3(1H),4′-piperidin]-1-one hydrochloride

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  • Product code: starshine_CAS475152-16-0
  • Purity/Analytical Methods: >99.0%
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475152-16-0 / spiro[furo[3,4-c]pyridine-3,4'-piperidine]-1-one;hydrochloride

Standard CAS: 475152-16-0 Multi CAS: No

Basic Information

CAS
475152-16-0
Multi CAS
No
Molecular Formula
C11H13CLN2O2
Molecular Weight
240.680000
Exact Mass
240.066555
InChI
InChI=1S/C11H12N2O2.ClH/c14-10-8-1-4-13-7-9(8)11(15-10)2-5-12-6-3-11;/h1,4,7,12H,2-3,5-6H2;1H
InChIKey
DURFWSQKFLEARB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.68
TPSA
51.22

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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