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CAS 501649-52-1 5-Bromomethyl-indan molecular structure lightbox
CAS RN: 501649-52-1

5-Bromomethyl-indan

  • Product code: SSC-156562
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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 501649-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

501649-52-1 / 5-(bromomethyl)-2,3-dihydro-1H-indene

Standard CAS: 501649-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501649-52-1
Multi CAS
No
Molecular Formula
C10H11BR
Molecular Weight
211.100000
Exact Mass
210.004410
InChI
InChI=1S/C10H11Br/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3,7H2
InChIKey
NTBYJOFMYKKLQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
51.1
TPSA
0.0000

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.3
Consensus LogP
3.02
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.83

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
1.5

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