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CAS 24373-98-6 1H-Indene, 1-broMo-2,3-dihydro- molecular structure lightbox
CAS RN: 24373-98-6

1H-Indene, 1-broMo-2,3-dihydro-

  • Product code: SSC-118695
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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
  • 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 24373-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

24373-98-6 / 1-bromo-2,3-dihydro-1H-indene

Standard CAS: 24373-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24373-98-6
Multi CAS
No
Molecular Formula
C9H9Br
Molecular Weight
197.070000
Exact Mass
195.988760
SMILES
C1CC2=CC=CC=C2C1Br
InChI
InChI=1S/C9H9Br/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
InChIKey
BVMGTUJYIOYCBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Molar refractivity
46.43
TPSA
0.0000

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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