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CAS 345965-99-3 4-BROMO-N-CYCLOPROPYL-2-METHYL-BENZAMIDE(WXG00232) molecular structure lightbox
CAS RN: 345965-99-3

4-BROMO-N-CYCLOPROPYL-2-METHYL-BENZAMIDE(WXG00232)

  • Product code: SSC-141123
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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 345965-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

345965-99-3 / 4-bromo-N-cyclopropyl-2-methylbenzamide

Standard CAS: 345965-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345965-99-3
Multi CAS
No
Molecular Formula
BC11H12ORn
Molecular Weight
254.120000
Exact Mass
253.010230
InChI
InChI=1S/C11H12BrNO/c1-7-6-8(12)2-5-10(7)11(14)13-9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,13,14)
InChIKey
OJCAKOFFLWVGEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.37
TPSA
29.1

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.8
Consensus LogP
2.6
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

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

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