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CAS 868755-65-1 [5-(2-Furyl)thien-2-yl]methanol molecular structure lightbox
CAS RN: 868755-65-1

[5-(2-Furyl)thien-2-yl]methanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS868755-65-1
  • Purity/Analytical Methods: >99.0%
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868755-65-1 / [5-(furan-2-yl)thiophen-2-yl]methanol

Standard CAS: 868755-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868755-65-1
Multi CAS
No
Molecular Formula
C9H8O2S
Molecular Weight
180.230000
Exact Mass
180.024501
InChI
InChI=1S/C9H8O2S/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5,10H,6H2
InChIKey
NQUWBSVOCVFVGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.94
TPSA
33.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
1.5
Consensus LogP
2.07
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.04

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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