CAS RN: 1255860-55-9
Isoquinoline, 6-(4-pyridinyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1255860-55-9
- Purity/Analytical Methods: >99.0%
1255860-55-9 / 6-pyridin-4-ylisoquinoline
Basic Information
CAS
1255860-55-9
Multi CAS
No
Molecular Formula
C14H10N2
Molecular Weight
206.240000
Exact Mass
206.084398
SMILES
C1=CC2=C(C=CN=C2)C=C1C3=CC=NC=C3
InChI
InChI=1S/C14H10N2/c1-2-14-10-16-8-5-13(14)9-12(1)11-3-6-15-7-4-11/h1-10H
InChIKey
SOMUJVWZPGYIFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.97
TPSA
25.78
LogP / Solubility
WLOGP
3.3
MLOGP
2.9
XLogP3
2.7
Consensus LogP
2.97
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1255912-98-1 (Z)-2-[[[(2-Amino-4-thiazolyl)[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl] carbamoyl]methylene]amino]oxy]-2-methylpropionic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255912-98-1.gif)
