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CAS 169695-24-3 5-bromo-1,1,3,3-tetramethyl-2,3-dihydro-1H-indene molecular structure lightbox
CAS RN: 169695-24-3

5-bromo-1,1,3,3-tetramethyl-2,3-dihydro-1H-indene

  • Product code: SSC-074295
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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 169695-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

169695-24-3 / 5-bromo-1,1,3,3-tetramethyl-2H-indene

Standard CAS: 169695-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169695-24-3
Multi CAS
No
Molecular Formula
C13H17Br
Molecular Weight
253.180000
Exact Mass
252.051360
SMILES
CC1(CC(C2=C1C=CC(=C2)Br)(C)C)C
InChI
InChI=1S/C13H17Br/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h5-7H,8H2,1-4H3
InChIKey
JCJBXUASIJDKNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Molar refractivity
64.81
TPSA
0.0000

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
5.2
Consensus LogP
4.5
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

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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