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CAS 56987-35-0 3,3-DIBROMO-4,5,6,7-TETRAHYDRO-1H-AZEPIN-2(3H)-ONE molecular structure lightbox
CAS RN: 56987-35-0

3,3-DIBROMO-4,5,6,7-TETRAHYDRO-1H-AZEPIN-2(3H)-ONE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 1g Out of stock Inquiry
Batchno.20250320 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260305 5g In stock Shenzhen Inquiry
  • Product code: SSC-165054
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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 56987-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

56987-35-0 / 3,3-dibromoazepan-2-one

Standard CAS: 56987-35-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56987-35-0
Multi CAS
Yes
Molecular Formula
C6H9BR2NO
Molecular Weight
270.950000
Exact Mass
270.903040
InChI
InChI=1S/C6H9Br2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10)
InChIKey
KJIRIIANVAJNNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.45
TPSA
29.1

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.89
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

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