![CAS 1841078-87-2 6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1841078-87-2.gif)
CAS RN: 1841078-87-2
6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-085149
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 | Shenzhen | Inquiry |
1841078-87-2 / 6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
Basic Information
CAS
1841078-87-2
Multi CAS
No
Molecular Formula
C16H11FN4
Molecular Weight
278.280000
Exact Mass
278.096775
SMILES
C1=CC(=C(C2=CC(=NC=C21)N3C=CC4=C3C=NC=C4)N)F
InChI
InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
InChIKey
KAXAUWZJVWGFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.74
TPSA
56.73
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
2.5
Consensus LogP
2.9
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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