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CAS 99365-44-3 2H-indol-2-one, 1-acetyl-6-bromo-1,3-dihydro- molecular structure lightbox
CAS RN: 99365-44-3

2H-indol-2-one, 1-acetyl-6-bromo-1,3-dihydro-

  • Product code: SSC-213126
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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: 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 99365-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

99365-44-3 / 1-acetyl-6-bromo-3H-indol-2-one

Standard CAS: 99365-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99365-44-3
Multi CAS
No
Molecular Formula
BC10H8O2Rn
Molecular Weight
254.080000
Exact Mass
252.973840
InChI
InChI=1S/C10H8BrNO2/c1-6(13)12-9-5-8(11)3-2-7(9)4-10(12)14/h2-3,5H,4H2,1H3
InChIKey
OIGKNMUGQDFQBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
56.01
TPSA
37.38

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

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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