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CAS 161256-84-4 9,9-bis(3-phenyl-4-hydroxy)phenyl fluorene molecular structure lightbox
CAS RN: 161256-84-4

9,9-bis(3-phenyl-4-hydroxy)phenyl fluorene

  • Product code: SSC-068934
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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 161256-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

161256-84-4 / 4-[9-(4-hydroxy-3-phenylphenyl)fluoren-9-yl]-2-phenylphenol

Standard CAS: 161256-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161256-84-4
Multi CAS
No
Molecular Formula
C37H26O2
Molecular Weight
502.600000
Exact Mass
502.193280
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC(=C(C=C6)O)C7=CC=CC=C7)O
InChI
InChI=1S/C37H26O2/c38-35-21-19-27(23-31(35)25-11-3-1-4-12-25)37(28-20-22-36(39)32(24-28)26-13-5-2-6-14-26)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-24,38-39H
InChIKey
FLMZHPQIDVOWEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
157.95
TPSA
40.46

LogP / Solubility

WLOGP
8.79
MLOGP
7.78
XLogP3
9.2
Consensus LogP
8.59
Log S (ESOL)
-8.92
Class (ESOL)
Insoluble
Log S (Ali)
-10.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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