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CAS RN: 1353966-13-8
Isoquinoline-1-carboxylic acid (5-Methyl-thiazol-2-yl)-aMide
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.20250707 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353966-13-8
- Purity/Analytical Methods: >99.0%
1353966-13-8 / N-(5-methyl-1,3-thiazol-2-yl)isoquinoline-1-carboxamide
Basic Information
CAS
1353966-13-8
Multi CAS
No
Molecular Formula
C14H11N3OS
Molecular Weight
269.320000
Exact Mass
269.062283
SMILES
CC1=CN=C(S1)NC(=O)C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C14H11N3OS/c1-9-8-16-14(19-9)17-13(18)12-11-5-3-2-4-10(11)6-7-15-12/h2-8H,1H3,(H,16,17,18)
InChIKey
HJKUMIZHZLYEOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.55
TPSA
54.88
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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