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CAS 445002-75-5 2-(4-BROMO-2-FORMYLPHENOXY)-N-PHENYLACETAMIDE molecular structure lightbox
CAS RN: 445002-75-5

2-(4-BROMO-2-FORMYLPHENOXY)-N-PHENYLACETAMIDE

  • Product code: SSC-152537
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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: 0.25g
  • 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 445002-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

445002-75-5 / 2-(4-bromo-2-formylphenoxy)-N-phenylacetamide

Standard CAS: 445002-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
445002-75-5
Multi CAS
No
Molecular Formula
BC15H12O3Rn
Molecular Weight
334.160000
Exact Mass
333.000060
InChI
InChI=1S/C15H12BrNO3/c16-12-6-7-14(11(8-12)9-18)20-10-15(19)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,17,19)
InChIKey
CZPQQRBCOIRMSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.1
TPSA
55.4

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
2.9
Consensus LogP
3.03
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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