CAS RN: 2442565-23-1

(R)-6,7-Dihydro-5H-cyclopenta[b]pyridin-7-amine hydrochloride

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  • Product code: starshine_CAS2442565-23-1
  • Purity/Analytical Methods: >99.0%
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2442565-23-1 / 6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;hydrochloride

Standard CAS: 2442565-23-1 Multi CAS: No

Basic Information

CAS
2442565-23-1
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
C1CC2=C(C1N)N=CC=C2.Cl
InChI
InChI=1S/C8H10N2.ClH/c9-7-4-3-6-2-1-5-10-8(6)7;/h1-2,5,7H,3-4,9H2;1H/t7-;/m1./s1
InChIKey
ZJMHTKKYRWAVTH-OGFXRTJISA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.73
TPSA
38.91

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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