CAS RN: 1860894-29-6
3-bromo-6-(methylsulfonyl)quinoline
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.20250706 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-086237
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1860894-29-6 / 3-bromo-6-methylsulfonylquinoline
Basic Information
CAS
1860894-29-6
Multi CAS
No
Molecular Formula
C10H8BrNO2S
Molecular Weight
286.150000
Exact Mass
284.945910
SMILES
CS(=O)(=O)C1=CC2=CC(=CN=C2C=C1)Br
InChI
InChI=1S/C10H8BrNO2S/c1-15(13,14)9-2-3-10-7(5-9)4-8(11)6-12-10/h2-6H,1H3
InChIKey
YLAFOXCQNDARIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.55
TPSA
47.03
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
1.4
Consensus LogP
1.97
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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