CAS RN: 924307-79-9
Isoquinoline, 5,8-difluoro-1,2,3,4- tetrahydro-
- Product code: SSC-206105
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
924307-79-9 / 5,8-difluoro-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
924307-79-9
Multi CAS
No
Molecular Formula
C9F2H9N
Molecular Weight
169.170000
Exact Mass
169.070306
InChI
InChI=1S/C9H9F2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2
InChIKey
CGEPWFZXDISRSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.77
TPSA
12.03
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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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