![CAS 1234622-99-1 2-[(3-Bromopyridin-2-yl)amino]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234622-99-1.gif)
CAS RN: 1234622-99-1
2-[(3-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.20250416 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1234622-99-1
- Purity/Analytical Methods: >99.0%
1234622-99-1 / 2-[(3-bromo-2-pyridinyl)amino]ethanol
Basic Information
CAS
1234622-99-1
Multi CAS
No
Molecular Formula
C7H9BrN2O
Molecular Weight
217.060000
Exact Mass
215.989830
SMILES
C1=CC(=C(N=C1)NCCO)Br
InChI
InChI=1S/C7H9BrN2O/c8-6-2-1-3-9-7(6)10-4-5-11/h1-3,11H,4-5H2,(H,9,10)
InChIKey
CXJLBUBYEVDLGQ-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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