CAS RN: 5632-16-6
4-Bromomethylquinoline
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.20251204 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5632-16-6
- Purity/Analytical Methods: >99.0%
5632-16-6 / 4-(bromomethyl)quinoline
Basic Information
CAS
5632-16-6
Multi CAS
No
Molecular Formula
BC10H8Rn
Molecular Weight
222.080000
Exact Mass
220.984010
InChI
InChI=1S/C10H8BrN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKey
QJQXVPCIRZUOIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.37
TPSA
12.89
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
2.8
Consensus LogP
2.9
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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