CAS RN: 1337881-60-3
4-methylisoquinoline-5-carboxylicacid
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.20260126 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1337881-60-3
- Purity/Analytical Methods: >99.0%
1337881-60-3 / 4-methylisoquinoline-5-carboxylic acid
Basic Information
CAS
1337881-60-3
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
CC1=CN=CC2=C1C(=CC=C2)C(=O)O
InChI
InChI=1S/C11H9NO2/c1-7-5-12-6-8-3-2-4-9(10(7)8)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
ZZHZGKPDZYMQRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.44
TPSA
50.19
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
2
Consensus LogP
2.07
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.27
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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