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CAS 31381-91-6 3,3′,5,5′-Tetrafluorobiphenyl-4,4′-dicarboxylic acid molecular structure lightbox
CAS RN: 31381-91-6

3,3′,5,5′-Tetrafluorobiphenyl-4,4′-dicarboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 100mg In stock Shanghai Inquiry
Batchno.20251127 1g In stock Shanghai Inquiry
Batchno.20260525 250mg In stock Shanghai Inquiry
  • Product code: SSC-136746
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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: ＞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 31381-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

31381-91-6 / 4-(4-carboxy-3,5-difluorophenyl)-2,6-difluorobenzoic acid

Standard CAS: 31381-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31381-91-6
Multi CAS
No
Molecular Formula
C14F4H6O4
Molecular Weight
314.190000
Exact Mass
314.020221
InChI
InChI=1S/C14H6F4O4/c15-7-1-5(2-8(16)11(7)13(19)20)6-3-9(17)12(14(21)22)10(18)4-6/h1-4H,(H,19,20)(H,21,22)
InChIKey
ZPGFIXJMWHUTJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.63
TPSA
74.6

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3
Consensus LogP
3.08
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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