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CAS 372-90-7 1,4-DIFLUOROBUTANE molecular structure lightbox
CAS RN: 372-90-7

1,4-DIFLUOROBUTANE

  • Product code: SSC-144539
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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 372-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

372-90-7 / 1,4-difluorobutane

Standard CAS: 372-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
372-90-7
Multi CAS
Yes
Molecular Formula
C4F2H8
Molecular Weight
94.100000
Exact Mass
94.059407
InChI
InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2
InChIKey
CXHPKSYTQFAXIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
21.18
TPSA
0.0000

LogP / Solubility

WLOGP
1.71
MLOGP
1.49
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately 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)
-2.08

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
1.5

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