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CAS 652-40-4 3,6-DIFLUOROPHTHALIC ANHYDRIDE molecular structure lightbox
CAS RN: 652-40-4

3,6-DIFLUOROPHTHALIC ANHYDRIDE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 1g In stock Shanghai, Shandong Inquiry
Batchno.20251217 250mg In stock Shanghai Inquiry
  • Product code: SSC-174878
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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: ≥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 652-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry

652-40-4 / 4,7-difluoro-2-benzofuran-1,3-dione

Standard CAS: 652-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
652-40-4
Multi CAS
No
Molecular Formula
C8F2H2O3
Molecular Weight
184.100000
Exact Mass
183.997200
InChI
InChI=1S/C8H2F2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H
InChIKey
AVLRPSLTCCWJKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
36.1
TPSA
43.37

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.94

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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