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CAS 614729-70-3 (3-fluorothiophen-2-yl)Methanol molecular structure lightbox
CAS RN: 614729-70-3

(3-fluorothiophen-2-yl)Methanol

  • Product code: SSC-170358
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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 614729-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

614729-70-3 / (3-fluorothiophen-2-yl)methanol

Standard CAS: 614729-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
614729-70-3
Multi CAS
No
Molecular Formula
C5FH5OS
Molecular Weight
132.160000
Exact Mass
132.004514
InChI
InChI=1S/C5H5FOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2
InChIKey
YFFLPENJDCROFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.2
TPSA
20.23

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

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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