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CAS 17920-85-3 [4-(2-FURYL)PHENYL]METHANOL molecular structure lightbox
CAS RN: 17920-85-3

[4-(2-FURYL)PHENYL]METHANOL

  • Product code: SSC-079842
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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 17920-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

17920-85-3 / [4-(furan-2-yl)phenyl]methanol

Standard CAS: 17920-85-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17920-85-3
Multi CAS
No
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
SMILES
C1=COC(=C1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C11H10O2/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7,12H,8H2
InChIKey
IKZLKNNNCKXCKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.07
TPSA
33.37

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

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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