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CAS 170242-36-1 9H-Fluorene,2,7-bis(2,4,6-trimethylphenyl)- molecular structure lightbox
CAS RN: 170242-36-1

9H-Fluorene,2,7-bis(2,4,6-trimethylphenyl)-

  • Product code: SSC-074845
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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 170242-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

170242-36-1 / 2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene

Standard CAS: 170242-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170242-36-1
Multi CAS
No
Molecular Formula
C31H30
Molecular Weight
402.600000
Exact Mass
402.234751
SMILES
CC1=CC(=C(C(=C1)C)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C5=C(C=C(C=C5C)C)C)C
InChI
InChI=1S/C31H30/c1-18-11-20(3)30(21(4)12-18)24-7-9-28-26(15-24)17-27-16-25(8-10-29(27)28)31-22(5)13-19(2)14-23(31)6/h7-16H,17H2,1-6H3
InChIKey
HRTBJVPOLKULEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.23
Rotatable bonds
2
Molar refractivity
133.98
TPSA
0.0000

LogP / Solubility

WLOGP
8.44
MLOGP
7.45
XLogP3
9
Consensus LogP
8.3
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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