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CAS 53142-19-1 3-BROMO-N,N-DIETHYLANILINE molecular structure lightbox
CAS RN: 53142-19-1

3-BROMO-N,N-DIETHYLANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS53142-19-1
  • Purity/Analytical Methods: >99.0%
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53142-19-1 / 3-bromo-N,N-diethylaniline

Standard CAS: 53142-19-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53142-19-1
Multi CAS
Yes
Molecular Formula
BC10H14Rn
Molecular Weight
228.130000
Exact Mass
227.030960
InChI
InChI=1S/C10H14BrN/c1-3-12(4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKey
IRSNNPCAZZDVIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
57.7
TPSA
3.24

LogP / Solubility

WLOGP
3.3
MLOGP
2.9
XLogP3
4
Consensus LogP
3.4
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.77

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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