CAS RN: 1187930-17-1

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

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  • Product code: starshine_CAS1187930-17-1
  • Purity/Analytical Methods: >99.0%
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1187930-17-1 / 6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine;dihydrochloride

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

Standard CAS: 1187930-17-1 Multi CAS: Yes

Basic Information

CAS
1187930-17-1
Multi CAS
Yes
Molecular Formula
C8H12Cl2N2
Molecular Weight
207.100000
Exact Mass
206.037754
SMILES
C1CC2=C(C1N)C=CC=N2.Cl.Cl
InChI
InChI=1S/C8H10N2.2ClH/c9-7-3-4-8-6(7)2-1-5-10-8;;/h1-2,5,7H,3-4,9H2;2*1H
InChIKey
ISGBINZZMGWDES-UHFFFAOYSA-N
Synonyms
6,7-Dihydro-5H-cyclopenta[b]pyridin-5-amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.98
TPSA
38.91

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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