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CAS 76561-16-5 4-Bromoisatoic anhydride molecular structure lightbox
CAS RN: 76561-16-5

4-Bromoisatoic anhydride

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 1g / 5g / 10g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 10g In stock Inquiry
Batchno.20250408 1g In stock Inquiry
Batchno.20260628 250mg In stock Inquiry
Batchno.20260325 25g In stock Inquiry
Batchno.20250620 5g In stock Inquiry
  • Product code: SSC-185961
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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: 1g, 5g, 25g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 76561-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry

76561-16-5 / 7-bromo-1H-3,1-benzoxazine-2,4-dione

Standard CAS: 76561-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76561-16-5
Multi CAS
Yes
Molecular Formula
BC8H4O3Rn
Molecular Weight
242.030000
Exact Mass
240.937460
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-5-6(3-4)10-8(12)13-7(5)11/h1-3H,(H,10,12)
InChIKey
PDGHWWQDMPEMKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.8
TPSA
63.07

LogP / Solubility

WLOGP
1.24
MLOGP
1.1
XLogP3
1.7
Consensus LogP
1.35
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

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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