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CAS 86499-96-9 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one molecular structure lightbox
CAS RN: 86499-96-9

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260209 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-195622
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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: 5g, 100g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 86499-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
100g >97% 4 In Stock Beijing Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Beijing Inquiry

86499-96-9 / 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

Standard CAS: 86499-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86499-96-9
Multi CAS
Yes
Molecular Formula
BC10H10ORn
Molecular Weight
240.100000
Exact Mass
238.994580
InChI
InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
InChIKey
JMXPGCGROVEPID-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
56.11
TPSA
29.1

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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