CAS RN: 728948-32-1
N-(4-bromobenzyl)-N-(2-methoxyethyl)-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.20260417 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS728948-32-1
- Purity/Analytical Methods: >99.0%
728948-32-1 / N-[(4-bromophenyl)methyl]-2-methoxy-N-methylethanamine
Basic Information
CAS
728948-32-1
Multi CAS
No
Molecular Formula
BC11H16ORn
Molecular Weight
258.150000
Exact Mass
257.041530
InChI
InChI=1S/C11H16BrNO/c1-13(7-8-14-2)9-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3
InChIKey
GRZPMTOWGXQEPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
62.35
TPSA
12.47
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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