CAS RN: 891842-80-1
6-(CYCLOBUTOXY)-2-BROMOPYRIDINE
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.20251024 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS891842-80-1
- Purity/Analytical Methods: >99.0%
891842-80-1 / 2-bromo-6-cyclobutyloxypyridine
Basic Information
CAS
891842-80-1
Multi CAS
No
Molecular Formula
BC9H10ORn
Molecular Weight
228.090000
Exact Mass
226.994580
InChI
InChI=1S/C9H10BrNO/c10-8-5-2-6-9(11-8)12-7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKey
KBBNPYQELNBTGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.2
TPSA
22.12
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
3.1
Consensus LogP
2.78
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
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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