CAS RN: 82117-29-1
7-Chloroisoquinolin-3-aMine
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.20260606 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82117-29-1
- Purity/Analytical Methods: >99.0%
82117-29-1 / 7-chloroisoquinolin-3-amine
Basic Information
CAS
82117-29-1
Multi CAS
No
Molecular Formula
C9H7CLN2
Molecular Weight
178.620000
Exact Mass
178.029776
InChI
InChI=1S/C9H7ClN2/c10-8-2-1-6-4-9(11)12-5-7(6)3-8/h1-5H,(H2,11,12)
InChIKey
BNICXCCUFXPCBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.17
TPSA
38.91
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.4
Consensus LogP
2.35
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.06
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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