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CAS 65570-43-6 N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxaMide molecular structure lightbox
CAS RN: 65570-43-6

N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxaMide

  • Product code: SSC-175221
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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 65570-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

65570-43-6 / N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide

Standard CAS: 65570-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65570-43-6
Multi CAS
No
Molecular Formula
C17H11CLN2O4
Molecular Weight
342.700000
Exact Mass
342.040735
InChI
InChI=1S/C17H11ClN2O4/c18-14-9-11(20(23)24)6-8-15(14)19-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,(H,19,22)
InChIKey
DACDOWVXWKIAAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.67
TPSA
92.47

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
4.7
Consensus LogP
4.3
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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