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CAS 4424-80-0 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one molecular structure lightbox
CAS RN: 4424-80-0

1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

  • Product code: SSC-152215
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4424-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

4424-80-0 / 1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 4424-80-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4424-80-0
Multi CAS
Yes
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
InChI
InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKey
HRVRAYIYXRVAPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.01
TPSA
29.1

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.4
Consensus LogP
1.69
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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