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CAS 375-16-6 Heptafluorobutyryl Chloride [for Heptafluorobutyration] molecular structure lightbox
CAS RN: 375-16-6

Heptafluorobutyryl Chloride [for Heptafluorobutyration]

  • Product code: SSC-144891
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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: 5g
  • 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 375-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

375-16-6 / 2,2,3,3,4,4,4-heptafluorobutanoyl chloride

Standard CAS: 375-16-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
375-16-6
Multi CAS
Yes
Molecular Formula
C4CLF7O
Molecular Weight
232.480000
Exact Mass
231.952589
InChI
InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
InChIKey
WFELVFKXQJYPSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
26.81
TPSA
17.07

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
3.2
Consensus LogP
2.69
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.3

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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