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CAS 65795-92-8 5-AMINOINDOLE HYDROCHLORIDE molecular structure lightbox
CAS RN: 65795-92-8

5-AMINOINDOLE HYDROCHLORIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS65795-92-8
  • Purity/Analytical Methods: >99.0%
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65795-92-8 / 1H-indol-5-amine;hydrochloride

Standard CAS: 65795-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65795-92-8
Multi CAS
No
Molecular Formula
C8H9CLN2
Molecular Weight
168.620000
Exact Mass
168.045426
InChI
InChI=1S/C8H8N2.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-5,10H,9H2;1H
InChIKey
CZRIFWIECZRIKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.96
TPSA
41.81

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.17
Consensus LogP
2.08
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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