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CAS 380-86-9 2,2-Difluoropentanedioic acid molecular structure lightbox
CAS RN: 380-86-9

2,2-Difluoropentanedioic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-145440
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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 380-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

380-86-9 / 2,2-difluoropentanedioic acid

Standard CAS: 380-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380-86-9
Multi CAS
No
Molecular Formula
C5F2H6O4
Molecular Weight
168.100000
Exact Mass
168.023415
InChI
InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
InChIKey
PIVAHSCRTJPWJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.45
TPSA
74.6

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.3
Consensus LogP
0.46
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.34

Drug-likeness / Medicinal Chemistry

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

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