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CAS 1934945-04-6 7-aminoisoquinoline-4-carboxylic acid molecular structure lightbox
CAS RN: 1934945-04-6

7-aminoisoquinoline-4-carboxylic acid

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4 package records0 with current stock1 grade group
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Batchno.20251112 100mg Out of stock Inquiry
Batchno.20251127 100mg / 250mg Out of stock 8-10 business days Inquiry
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Batchno.20251216 250mg Out of stock Inquiry
  • Product code: starshine_CAS1934945-04-6
  • Purity/Analytical Methods: >99.0%
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1934945-04-6 / 7-aminoisoquinoline-4-carboxylic acid

Standard CAS: 1934945-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934945-04-6
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC2=C(C=NC=C2C=C1N)C(=O)O
InChI
InChI=1S/C10H8N2O2/c11-7-1-2-8-6(3-7)4-12-5-9(8)10(13)14/h1-5H,11H2,(H,13,14)
InChIKey
NTJJLNFFMASFLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.11
TPSA
76.21

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.79

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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