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CAS 1893404-91-5 (3R,4S)-3-fluorooxan-4-ol molecular structure lightbox
CAS RN: 1893404-91-5

(3R,4S)-3-fluorooxan-4-ol

  • Product code: SSC-088486
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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: 0.25g
  • 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 1893404-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1893404-91-5 / (3R,4S)-3-fluorooxan-4-ol

Standard CAS: 1893404-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1893404-91-5
Multi CAS
No
Molecular Formula
C5H9FO2
Molecular Weight
120.120000
Exact Mass
120.058658
SMILES
C1COC[C@H]([C@H]1O)F
InChI
InChI=1S/C5H9FO2/c6-4-3-8-2-1-5(4)7/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKey
MSXRZCAECMOKSR-UHNVWZDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.34
TPSA
29.46

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
Consensus LogP
0.06
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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