CAS RN: 2101945-67-7
5-Bromo-7-fluoro-8-methylquinoline
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.20260318 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-099994
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 | Hong Kong | Inquiry |
2101945-67-7 / 5-bromo-7-fluoro-8-methylquinoline
Basic Information
CAS
2101945-67-7
Multi CAS
No
Molecular Formula
C10H7BrFN
Molecular Weight
240.070000
Exact Mass
238.974590
SMILES
CC1=C2C(=C(C=C1F)Br)C=CC=N2
InChI
InChI=1S/C10H7BrFN/c1-6-9(12)5-8(11)7-3-2-4-13-10(6)7/h2-5H,1H3
InChIKey
JPZRNAQJHYODCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
54.14
TPSA
12.89
LogP / Solubility
WLOGP
3.44
MLOGP
3.04
XLogP3
3.3
Consensus LogP
3.26
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
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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