![CAS 774191-64-9 2-[(4-BROMOBENZYL)AMINO]ETHANOL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/774191-64-9.gif)
CAS RN: 774191-64-9
2-[(4-BROMOBENZYL)AMINO]ETHANOL HYDROCHLORIDE
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.20260322 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS774191-64-9
- Purity/Analytical Methods: >99.0%
774191-64-9 / 2-[(4-bromophenyl)methylamino]ethanol
Basic Information
CAS
774191-64-9
Multi CAS
Yes
Molecular Formula
BC9H12ORn
Molecular Weight
230.100000
Exact Mass
229.010230
InChI
InChI=1S/C9H12BrNO/c10-9-3-1-8(2-4-9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKey
WXNPLUJAXBAUFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.93
TPSA
32.26
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-3.04
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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