![CAS 911112-04-4 2-[(5-bromopyridin-2-yl)amino]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911112-04-4.gif)
CAS RN: 911112-04-4
2-[(5-bromopyridin-2-yl)amino]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.20250409 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS911112-04-4
- Purity/Analytical Methods: >99.0%
911112-04-4 / 2-[(5-bromo-2-pyridinyl)amino]ethanol
Basic Information
CAS
911112-04-4
Multi CAS
No
Molecular Formula
BC7H9ORn2
Molecular Weight
217.060000
Exact Mass
215.989830
InChI
InChI=1S/C7H9BrN2O/c8-6-1-2-7(10-5-6)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10)
InChIKey
AONZIQYJELDBQX-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
2
Molar refractivity
47.51
TPSA
45.15
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.16
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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