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CAS 62492-58-4 (2-AMINO-5-CHLOROPHENYL)(3-HYDROXYPHENYL)METHANONE molecular structure lightbox
CAS RN: 62492-58-4

(2-AMINO-5-CHLOROPHENYL)(3-HYDROXYPHENYL)METHANONE

  • Product code: SSC-171659
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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 62492-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

62492-58-4 / (2-amino-5-chlorophenyl)-(3-hydroxyphenyl)methanone

Standard CAS: 62492-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62492-58-4
Multi CAS
No
Molecular Formula
C13H10CLNO2
Molecular Weight
247.670000
Exact Mass
247.040006
InChI
InChI=1S/C13H10ClNO2/c14-9-4-5-12(15)11(7-9)13(17)8-2-1-3-10(16)6-8/h1-7,16H,15H2
InChIKey
QNYBTFDZVVAFOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.4
TPSA
63.32

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
3.4
Consensus LogP
2.93
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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