CAS RN: 1936429-80-9
6-Bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-091397
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ＞97%
- 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.
1936429-80-9 / 6-bromo-7-(difluoromethyl)-1,2,3,4-tetrahydroquinoline
Basic Information
CAS
1936429-80-9
Multi CAS
No
Molecular Formula
C10H10BrF2N
Molecular Weight
262.090000
Exact Mass
260.996470
SMILES
C1CC2=CC(=C(C=C2NC1)C(F)F)Br
InChI
InChI=1S/C10H10BrF2N/c11-8-4-6-2-1-3-14-9(6)5-7(8)10(12)13/h4-5,10,14H,1-3H2
InChIKey
YSIQFNDARSIHNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.91
TPSA
12.03
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.6
Consensus LogP
3.55
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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