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CAS 77603-45-3 6-Bromoisatinic anhydride molecular structure lightbox
CAS RN: 77603-45-3

6-Bromoisatinic anhydride

  • Product code: SSC-187166
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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: 10g
  • 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 77603-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

77603-45-3 / 6-bromo-1H-3,1-benzoxazine-2,4-dione

Standard CAS: 77603-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77603-45-3
Multi CAS
Yes
Molecular Formula
BC8H4O3Rn
Molecular Weight
242.030000
Exact Mass
240.937460
InChI
InChI=1S/C8H4BrNO3/c9-4-2-1-3-5-6(4)7(11)13-8(12)10-5/h1-3H,(H,10,12)
InChIKey
YELXVMUMHRDCKE-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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