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CAS 3016-76-0 4,4′-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID molecular structure lightbox
CAS RN: 3016-76-0

4,4′-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100g In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250401 10g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250601 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260624 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250508 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing 5-7 business days Inquiry
  • Product code: SSC-133852
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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: 100g
  • 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 3016-76-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

3016-76-0 / 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid

Standard CAS: 3016-76-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3016-76-0
Multi CAS
Yes
Molecular Formula
C19F6H10O8
Molecular Weight
480.300000
Exact Mass
480.027986
InChI
InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey
APXJLYIVOFARRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
93.61
TPSA
149.2

LogP / Solubility

WLOGP
3.89
MLOGP
3.46
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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