CAS RN: 26646-25-3
2-(2-BroMo-phenoxy)-ethylaMine
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.20251201 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26646-25-3
- Purity/Analytical Methods: >99.0%
26646-25-3 / 2-(2-bromophenoxy)ethanamine
Basic Information
CAS
26646-25-3
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
C1=CC=C(C(=C1)OCCN)Br
InChI
InChI=1S/C8H10BrNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
InChIKey
UWRFNXLTMNVOTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.69
TPSA
35.25
LogP / Solubility
WLOGP
1.79
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
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)
-2.77
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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![CAS 26646-63-9 2-[2-(2-METHOXY-PHENOXY)-ETHYL]-ISOINDOLE-1,3-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26646-63-9.gif)
