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CAS 71590-32-4 N-(6-BROMONAPHTHALEN-2-YL)ACETAMIDE molecular structure lightbox
CAS RN: 71590-32-4

N-(6-BROMONAPHTHALEN-2-YL)ACETAMIDE

  • Product code: SSC-181161
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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 71590-32-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

71590-32-4 / N-(6-bromonaphthalen-2-yl)acetamide

Standard CAS: 71590-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71590-32-4
Multi CAS
No
Molecular Formula
BC12H10ORn
Molecular Weight
264.120000
Exact Mass
262.994580
InChI
InChI=1S/C12H10BrNO/c1-8(15)14-12-5-3-9-6-11(13)4-2-10(9)7-12/h2-7H,1H3,(H,14,15)
InChIKey
CNNZNISXSGSKPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.95
TPSA
29.1

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3
Consensus LogP
3.23
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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