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CAS 165530-14-3 8-HYDROXY-1,2,4,5-TETRAHYDRO-3H-2-BENZAZEPIN-3-ONE molecular structure lightbox
CAS RN: 165530-14-3

8-HYDROXY-1,2,4,5-TETRAHYDRO-3H-2-BENZAZEPIN-3-ONE

  • Product code: SSC-072296
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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 165530-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

165530-14-3 / 8-hydroxy-1,2,4,5-tetrahydro-2-benzazepin-3-one

Standard CAS: 165530-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
165530-14-3
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
C1CC(=O)NCC2=C1C=CC(=C2)O
InChI
InChI=1S/C10H11NO2/c12-9-3-1-7-2-4-10(13)11-6-8(7)5-9/h1,3,5,12H,2,4,6H2,(H,11,13)
InChIKey
AQBDILJOXHUQSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.27
TPSA
49.33

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-3.12

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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