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CAS 58143-00-3 5-AMINOISOQUINOLINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 58143-00-3

5-AMINOISOQUINOLINE DIHYDROCHLORIDE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 1g In stock Inquiry
Batchno.20251218 250mg In stock Inquiry
Batchno.20260208 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58143-00-3
  • Purity/Analytical Methods: >99.0%
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58143-00-3 / isoquinolin-5-amine;dihydrochloride

Standard CAS: 58143-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58143-00-3
Multi CAS
Yes
Molecular Formula
C9H10CL2N2
Molecular Weight
217.090000
Exact Mass
216.022104
InChI
InChI=1S/C9H8N2.2ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;;/h1-6H,10H2;2*1H
InChIKey
YIFMEJRWWQEKPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.65
TPSA
38.91

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.66
Consensus LogP
2.55
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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