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CAS 117344-32-8 9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene molecular structure lightbox
CAS RN: 117344-32-8

9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-017199
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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: 100g
  • Available purity: ≥97%
  • 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 117344-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

117344-32-8 / 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol

9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene | DTXSID80396099 | 9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene

Standard CAS: 117344-32-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117344-32-8
Multi CAS
Yes
Molecular Formula
C29H26O4
Molecular Weight
438.500000
Exact Mass
438.183109
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO
InChI
InChI=1S/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2
InChIKey
NQXNYVAALXGLQT-UHFFFAOYSA-N
Synonyms
9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene DTXSID80396099 9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene RefChem:312682 DTXCID80346958

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
128.91
TPSA
58.92

LogP / Solubility

WLOGP
4.79
MLOGP
4.25
XLogP3
5.2
Consensus LogP
4.75
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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