CAS RN: 82117-26-8
3-CHLORO-7-FLUOROISOQUINOLINE
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.20250220 | 50mg / 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-190348
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
82117-26-8 / 3-chloro-7-fluoroisoquinoline
Basic Information
CAS
82117-26-8
Multi CAS
No
Molecular Formula
C9H5CLFN
Molecular Weight
181.590000
Exact Mass
181.009455
InChI
InChI=1S/C9H5ClFN/c10-9-4-6-1-2-8(11)3-7(6)5-12-9/h1-5H
InChIKey
YGDRWTHVHZAKTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
46.71
TPSA
12.89
LogP / Solubility
WLOGP
3.03
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
7-Chloroisoquinolin-3-aMine
- CAS RN: 82117-29-1
- Product Code: starshine_CAS82117-29-1
- Purity/Analytical method: >99.0%
-
7-fluoroisoquinolin-3-amine
- CAS RN: 82117-32-6
- Product Code: starshine_CAS82117-32-6
- Purity/Analytical method: >99.0%
-
-
-
3-CHLORO-5-FLUORO-2-HYDROXYBENZALDEHYDE
- CAS RN: 82128-69-6
- Product Code: starshine_CAS82128-69-6
- Purity/Analytical method: >99.0%
-
