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CAS 474966-95-5 N -(2-BroMo-4-Iodophenyl)AcetaMide molecular structure lightbox
CAS RN: 474966-95-5

N -(2-BroMo-4-Iodophenyl)AcetaMide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS474966-95-5
  • Purity/Analytical Methods: >99.0%
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474966-95-5 / N-(2-bromo-4-iodophenyl)acetamide

Standard CAS: 474966-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
474966-95-5
Multi CAS
No
Molecular Formula
C8H7BRINO
Molecular Weight
339.960000
Exact Mass
338.875570
InChI
InChI=1S/C8H7BrINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey
AQKAGSPITSZEQT-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
61.16
TPSA
29.1

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
2.1
Consensus LogP
2.59
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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