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CAS 3952-36-1 2-(9H-fluoren-9-yl)ethanol molecular structure lightbox
CAS RN: 3952-36-1

2-(9H-fluoren-9-yl)ethanol

  • Product code: SSC-147204
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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 3952-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

3952-36-1 / 2-(9H-fluoren-9-yl)ethanol

Standard CAS: 3952-36-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3952-36-1
Multi CAS
No
Molecular Formula
C15H14O
Molecular Weight
210.270000
Exact Mass
210.104465
InChI
InChI=1S/C15H14O/c16-10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2
InChIKey
WKBKTKRNNSFTMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
65.42
TPSA
20.23

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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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