CAS RN: 587885-93-6
Quinoline, 4,8-dibroMo-2-(trifluoroMethyl)-
- Product code: SSC-167109
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 |
587885-93-6 / 4,8-dibromo-2-(trifluoromethyl)quinoline
Basic Information
CAS
587885-93-6
Multi CAS
No
Molecular Formula
C10H4BR2F3N
Molecular Weight
354.950000
Exact Mass
354.864210
InChI
InChI=1S/C10H4Br2F3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H
InChIKey
QACMTFHCILQPLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
62.15
TPSA
12.89
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4.5
Consensus LogP
4.5
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49
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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