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CAS 99848-78-9 5-Bromo-1-methylindoline molecular structure lightbox
CAS RN: 99848-78-9

5-Bromo-1-methylindoline

  • Product code: SSC-213382
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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: ＞97%
  • 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 99848-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

99848-78-9 / 5-bromo-1-methyl-2,3-dihydroindole

Standard CAS: 99848-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99848-78-9
Multi CAS
No
Molecular Formula
BC9H10Rn
Molecular Weight
212.090000
Exact Mass
210.999660
InChI
InChI=1S/C9H10BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5H2,1H3
InChIKey
YIRSVRZXIXHOSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
Molar refractivity
51.12
TPSA
3.24

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.8
Consensus LogP
2.46
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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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