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CAS 2474-07-9 2-(4-Bromophenoxy)-N,N-dimethylethylamine molecular structure lightbox
CAS RN: 2474-07-9

2-(4-Bromophenoxy)-N,N-dimethylethylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2474-07-9
  • Purity/Analytical Methods: >99.0%
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2474-07-9 / 2-(4-bromophenoxy)-N,N-dimethylethanamine

Standard CAS: 2474-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2474-07-9
Multi CAS
No
Molecular Formula
C10H14BrNO
Molecular Weight
244.130000
Exact Mass
243.025880
SMILES
CN(C)CCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H14BrNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
MOVOYJFCKMYLHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
58.19
TPSA
12.47

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
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)
-2.51

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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