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CAS 5343-64-6 2-BROMO-N-(4-CHLOROPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 5343-64-6

2-BROMO-N-(4-CHLOROPHENYL)ACETAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5343-64-6
  • Purity/Analytical Methods: >99.0%
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5343-64-6 / 2-bromo-N-(4-chlorophenyl)acetamide

Standard CAS: 5343-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5343-64-6
Multi CAS
Yes
Molecular Formula
C8H7BRCLNO
Molecular Weight
248.500000
Exact Mass
246.939950
InChI
InChI=1S/C8H7BrClNO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)
InChIKey
YSTUPBOIUOUMHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.88
TPSA
29.1

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-2.34

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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