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CAS 92874-17-4 6-bromo-2-butyl-1H-benzo[de]isoquinoline-1,3(2H)-dione molecular structure lightbox
CAS RN: 92874-17-4

6-bromo-2-butyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-206749
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 92874-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Shanghai Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
10g >97% 3 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shanghai Inquiry

92874-17-4 / 6-bromo-2-butylbenzo[de]isoquinoline-1,3-dione

Standard CAS: 92874-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92874-17-4
Multi CAS
Yes
Molecular Formula
BC16H14O2Rn
Molecular Weight
332.190000
Exact Mass
331.020790
InChI
InChI=1S/C16H14BrNO2/c1-2-3-9-18-15(19)11-6-4-5-10-13(17)8-7-12(14(10)11)16(18)20/h4-8H,2-3,9H2,1H3
InChIKey
LXKQLQDJZKQFQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
81.92
TPSA
37.38

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.1
Consensus LogP
3.88
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

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

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