CAS RN: 1687855-43-1
methyl4-aminoisoquinoline-8-carboxylate
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.20250509 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1687855-43-1
- Purity/Analytical Methods: >99.0%
1687855-43-1 / methyl 4-aminoisoquinoline-8-carboxylate
Basic Information
CAS
1687855-43-1
Multi CAS
No
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
SMILES
COC(=O)C1=CC=CC2=C(C=NC=C21)N
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)8-4-2-3-7-9(8)5-13-6-10(7)12/h2-6H,12H2,1H3
InChIKey
GSEKNOHQZUCRQN-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
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Bis(2,5-dioxopyrrolidin-1-yl) (disulfanediylbis(ethane-2,1-diyl)) dicarbonate
- CAS RN: 1688598-83-5
- Product Code: SSC-073566
-
3-Chloro-2-methylphenyboronic acid pinacol ester
- CAS RN: 1688649-04-8
- Product Code: SSC-073569
-
Ethyl 4-ethoxyquinoline-7-carboxylate
- CAS RN: 1688656-69-0
- Product Code: starshine_CAS1688656-69-0
- Purity/Analytical method: >99.0%
-
2-[2-(Methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1688661-75-7
- Product Code: starshine_CAS1688661-75-7
- Purity/Analytical method: >99.0%
-
2-(2-{2-[2-(2-（p-methylbenzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol
- CAS RN: 1688666-68-3
- Product Code: starshine_CAS1688666-68-3
- Purity/Analytical method: >99.0%
-
TAS-115 Methanesulfonic acid salt
- CAS RN: 1688673-09-7
- Product Code: starshine_CAS1688673-09-7
- Purity/Analytical method: >99.0%
![CAS 1688661-75-7 2-[2-(Methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1688661-75-7.gif)
![CAS 1688666-68-3 2-(2-{2-[2-(2-（p-methylbenzyloxyethoxy)ethoxy]ethoxy}ethoxy)ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1688666-68-3.gif)
