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CAS 875306-81-3 5-broMo-1-Methylene-2,3-dihydro-1H-indene molecular structure lightbox
CAS RN: 875306-81-3

5-broMo-1-Methylene-2,3-dihydro-1H-indene

  • Product code: SSC-197634
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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 875306-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

875306-81-3 / 6-bromo-3-methylidene-1,2-dihydroindene

Standard CAS: 875306-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875306-81-3
Multi CAS
No
Molecular Formula
C10H9BR
Molecular Weight
209.080000
Exact Mass
207.988760
InChI
InChI=1S/C10H9Br/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-6H,1-3H2
InChIKey
ZQLUWPKLJNDZSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Molar refractivity
51.5
TPSA
0.0000

LogP / Solubility

WLOGP
3.41
MLOGP
3
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.58

Drug-likeness / Medicinal Chemistry

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

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