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CAS 435273-55-5 4-BROMO-2-METHYLISOINDOLIN-1-ONE molecular structure lightbox
CAS RN: 435273-55-5

4-BROMO-2-METHYLISOINDOLIN-1-ONE

  • Product code: SSC-151705
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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: 0.25g, 1g
  • 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 435273-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

435273-55-5 / 4-bromo-2-methyl-3H-isoindol-1-one

Standard CAS: 435273-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
435273-55-5
Multi CAS
Yes
Molecular Formula
BC9H8ORn
Molecular Weight
226.070000
Exact Mass
224.978930
InChI
InChI=1S/C9H8BrNO/c1-11-5-7-6(9(11)12)3-2-4-8(7)10/h2-4H,5H2,1H3
InChIKey
HNVZVGCFIFFWMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
49.94
TPSA
20.31

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.65

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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