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CAS 378-17-6 2,2,3,3-tetrafluorocyclobutanemethanol molecular structure lightbox
CAS RN: 378-17-6

2,2,3,3-tetrafluorocyclobutanemethanol

  • Product code: SSC-145243
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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 378-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

378-17-6 / (2,2,3,3-tetrafluorocyclobutyl)methanol

Standard CAS: 378-17-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
378-17-6
Multi CAS
Yes
Molecular Formula
C5F4H6O
Molecular Weight
158.090000
Exact Mass
158.035477
InChI
InChI=1S/C5H6F4O/c6-4(7)1-3(2-10)5(4,8)9/h3,10H,1-2H2
InChIKey
DIXNZPIYNXRZEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.09
TPSA
20.23

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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