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CAS 117766-40-2 9,9-Bis(4-methoxyphenyl)-9H-fluorene molecular structure lightbox
CAS RN: 117766-40-2

9,9-Bis(4-methoxyphenyl)-9H-fluorene

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 1g Out of stock Inquiry
Batchno.20251229 5g Out of stock Inquiry
  • Product code: SSC-017623
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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 117766-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117766-40-2 / 9,9-bis(4-methoxyphenyl)fluorene

9,9-bis(4-methoxyphenyl)-9h-fluorene | 9H-Fluorene, 9,9-bis(4-methoxyphenyl)- | 9,9-bis(4-methoxyphenyl)fluorene

Standard CAS: 117766-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117766-40-2
Multi CAS
No
Molecular Formula
C27H22O2
Molecular Weight
378.500000
Exact Mass
378.161980
SMILES
COC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)OC
InChI
InChI=1S/C27H22O2/c1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3
InChIKey
BYDIWLYAWBNCAQ-UHFFFAOYSA-N
Synonyms
9,9-bis(4-methoxyphenyl)-9h-fluorene 9H-Fluorene, 9,9-bis(4-methoxyphenyl)- 9,9-bis(4-methoxyphenyl)fluorene MFCD00192781 SCHEMBL1702667

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
116.85
TPSA
18.46

LogP / Solubility

WLOGP
6.07
MLOGP
5.36
XLogP3
6.6
Consensus LogP
6.01
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
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)
-0.72

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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