CAS RN: 2828438-95-3
4-Isoquinolinecarboxylic acid, 7-amino-, methyl ester
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.20260308 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2828438-95-3
- Purity/Analytical Methods: >99.0%
2828438-95-3 / methyl 7-aminoisoquinoline-4-carboxylate
Basic Information
CAS
2828438-95-3
Multi CAS
No
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)10-6-13-5-7-4-8(12)2-3-9(7)10/h2-6H,12H2,1H3
InChIKey
ZUFSPYFNFVQCFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.49
TPSA
65.21
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 2828440-25-9 2,2′-Bi-1H-imidazole, 1,1′-bis[3-(1,1-dimethylethyl)phenyl]-4,4′,5,5′-tetrahydro-4,4′-bis(2-methylpropyl)-, (4S,4’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2828440-25-9.gif)
