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CAS 3107-98-0 Dimethyl Octafluoroadipate molecular structure lightbox
CAS RN: 3107-98-0

Dimethyl Octafluoroadipate

  • Product code: SSC-136312
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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: ≥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 3107-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

3107-98-0 / dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate

Standard CAS: 3107-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3107-98-0
Multi CAS
No
Molecular Formula
C8F8H6O4
Molecular Weight
318.120000
Exact Mass
318.013834
InChI
InChI=1S/C8H6F8O4/c1-19-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(18)20-2/h1-2H3
InChIKey
XPXVIIILXUOEQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.75
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
43.82
TPSA
52.6

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
2.7
Consensus LogP
2.08
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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