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CAS 23872-19-7 5,7-DIBROMO-1,3-DIHYDRO-INDOL-2-ONE molecular structure lightbox
CAS RN: 23872-19-7

5,7-DIBROMO-1,3-DIHYDRO-INDOL-2-ONE

  • Product code: SSC-116589
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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: 5g
  • 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 23872-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

23872-19-7 / 5,7-dibromo-1,3-dihydroindol-2-one

Standard CAS: 23872-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23872-19-7
Multi CAS
No
Molecular Formula
C8H5Br2NO
Molecular Weight
290.940000
Exact Mass
290.871740
SMILES
C1C2=C(C(=CC(=C2)Br)Br)NC1=O
InChI
InChI=1S/C8H5Br2NO/c9-5-1-4-2-7(12)11-8(4)6(10)3-5/h1,3H,2H2,(H,11,12)
InChIKey
HWEYJUXFIONVIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.18
TPSA
29.1

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

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

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