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CAS 62420-83-1 6,7,8,9-tetrahydro-Pyrido[1,2-a]indole molecular structure lightbox
CAS RN: 62420-83-1

6,7,8,9-tetrahydro-Pyrido[1,2-a]indole

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Batchno.20250723 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62420-83-1
  • Purity/Analytical Methods: >99.0%
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62420-83-1 / 6,7,8,9-tetrahydropyrido[1,2-a]indole

Standard CAS: 62420-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62420-83-1
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-2,5,7,9H,3-4,6,8H2
InChIKey
RIBUJTDHWAVEMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
54.88
TPSA
4.93

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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