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CAS 53841-99-9 7-BROMO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE molecular structure lightbox
CAS RN: 53841-99-9

7-BROMO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250708 100mg In stock Shanghai Inquiry
Batchno.20250823 100mg / 500mg Out of stock 5-7 business days Inquiry
Batchno.20251212 10g In stock Shanghai Inquiry
Batchno.20251022 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260127 250mg In stock Shanghai Inquiry
Batchno.20260613 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-161246
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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: 0.25g, 0.1g, 1g
  • 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 53841-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

53841-99-9 / 7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 53841-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53841-99-9
Multi CAS
No
Molecular Formula
BC10H10ORn
Molecular Weight
240.100000
Exact Mass
238.994580
InChI
InChI=1S/C10H10BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)
InChIKey
RVPUXBJFIDCMLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.71
TPSA
29.1

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.1
Consensus LogP
2.41
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-2.25

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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