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CAS 57045-85-9 2′-BROMO-4′-CHLOROACETANILIDE molecular structure lightbox
CAS RN: 57045-85-9

2′-BROMO-4′-CHLOROACETANILIDE

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 100mg / 250mg / 500mg / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250703 100mg Out of stock 8-10 business days Inquiry
Batchno.20250629 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS57045-85-9
  • Purity/Analytical Methods: >99.0%
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57045-85-9 / N-(2-bromo-4-chlorophenyl)acetamide

Standard CAS: 57045-85-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57045-85-9
Multi CAS
Yes
Molecular Formula
C8H7BRCLNO
Molecular Weight
248.500000
Exact Mass
246.939950
InChI
InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey
FXRJRUAYMSVQKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.46
TPSA
29.1

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.2
Consensus LogP
2.65
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.06

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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