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CAS 1378839-26-9 7-hydroxyisoquinoline-4-carboxylic acid molecular structure lightbox
CAS RN: 1378839-26-9

7-hydroxyisoquinoline-4-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1378839-26-9
  • Purity/Analytical Methods: >99.0%
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1378839-26-9 / 7-hydroxyisoquinoline-4-carboxylic acid

Standard CAS: 1378839-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378839-26-9
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC2=C(C=NC=C2C=C1O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-7-1-2-8-6(3-7)4-11-5-9(8)10(13)14/h1-5,12H,(H,13,14)
InChIKey
DDHLYYXKRIGWMQ-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
50.37
TPSA
70.42

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.71

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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