CAS RN: 212961-31-4
2-(5-bromopyridin-2-yloxy)ethanol
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.20250519 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS212961-31-4
- Purity/Analytical Methods: >99.0%
212961-31-4 / 2-[(5-bromo-2-pyridinyl)oxy]ethanol
Basic Information
CAS
212961-31-4
Multi CAS
No
Molecular Formula
C7H8BrNO2
Molecular Weight
218.050000
Exact Mass
216.973840
SMILES
C1=CC(=NC=C1Br)OCCO
InChI
InChI=1S/C7H8BrNO2/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKey
CUFNADWOLCRLNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.52
TPSA
42.35
LogP / Solubility
WLOGP
1.22
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately 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)
-3.19
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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