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CAS 40723-80-6 1,1,1,2,2-Pentafluoro-4-iodobutane molecular structure lightbox
CAS RN: 40723-80-6

1,1,1,2,2-Pentafluoro-4-iodobutane

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250701 10g In stock Shanghai, Tianjin Inquiry
Batchno.20251226 1kg Out of stock Inquiry
Batchno.20260201 25g In stock Shanghai Inquiry
Batchno.20250429 500g In stock Shanghai Inquiry
Batchno.20250118 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-149054
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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: 25g
  • Available purity: ＞97%
  • 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 40723-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

40723-80-6 / 1,1,1,2,2-pentafluoro-4-iodobutane

Standard CAS: 40723-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40723-80-6
Multi CAS
Yes
Molecular Formula
C4F5H4I
Molecular Weight
273.970000
Exact Mass
273.927790
InChI
InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
InChIKey
PPXVPFPTMXFUDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
34.51
TPSA
0.0000

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.5
Consensus LogP
3.06
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly 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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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