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CAS 303793-19-3 N-(2-bromo-4-methylphenyl)-4-methylbenzamide molecular structure lightbox
CAS RN: 303793-19-3

N-(2-bromo-4-methylphenyl)-4-methylbenzamide

  • Product code: SSC-134728
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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 303793-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

303793-19-3 / N-(2-bromo-4-methylphenyl)-4-methylbenzamide

Standard CAS: 303793-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
303793-19-3
Multi CAS
No
Molecular Formula
BC15H14ORn
Molecular Weight
304.180000
Exact Mass
303.025880
InChI
InChI=1S/C15H14BrNO/c1-10-3-6-12(7-4-10)15(18)17-14-8-5-11(2)9-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKey
PIZVSMUCSWOALO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
78.01
TPSA
29.1

LogP / Solubility

WLOGP
4.32
MLOGP
3.81
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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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