![CAS 743456-85-1 N-[2-(4-BROMOPHENOXY)ETHYL]-N-METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8669344.gif)
CAS RN: 743456-85-1
N-[2-(4-BROMOPHENOXY)ETHYL]-N-METHYLAMINE
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.20260504 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS743456-85-1
- Purity/Analytical Methods: >99.0%
743456-85-1 / 2-(4-bromophenoxy)-N-methylethanamine
Basic Information
CAS
743456-85-1
Multi CAS
No
Molecular Formula
BC9H12ORn
Molecular Weight
230.100000
Exact Mass
229.010230
InChI
InChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKey
KBQNXQWMKSFFKY-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
1
Molar refractivity
53.56
TPSA
21.26
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.67
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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