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CAS 14439-71-5 N-(2-Benzoylphenyl)-2-bromoacetamide molecular structure lightbox
CAS RN: 14439-71-5

N-(2-Benzoylphenyl)-2-bromoacetamide

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250301 100mg In stock Inquiry
Batchno.20260114 1g In stock Inquiry
Batchno.20250218 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-055598
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14439-71-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

14439-71-5 / N-(2-benzoylphenyl)-2-bromoacetamide

Standard CAS: 14439-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14439-71-5
Multi CAS
No
Molecular Formula
C15H12BrNO2
Molecular Weight
318.160000
Exact Mass
317.005140
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CBr
InChI
InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKey
HZQDHBGMMKYQDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.74
TPSA
46.17

LogP / Solubility

WLOGP
3.25
MLOGP
2.88
XLogP3
3.9
Consensus LogP
3.34
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

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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