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CAS 1260811-82-2 4′-Cyano-3′-fluorobiphenyl-4-carboxylic acid molecular structure lightbox
CAS RN: 1260811-82-2

4′-Cyano-3′-fluorobiphenyl-4-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-032151
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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 1260811-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1260811-82-2 / 4-(4-cyano-3-fluorophenyl)benzoic acid

Standard CAS: 1260811-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260811-82-2
Multi CAS
No
Molecular Formula
C14H8FNO2
Molecular Weight
241.220000
Exact Mass
241.053907
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)C#N)F)C(=O)O
InChI
InChI=1S/C14H8FNO2/c15-13-7-11(5-6-12(13)8-16)9-1-3-10(4-2-9)14(17)18/h1-7H,(H,17,18)
InChIKey
SVQNQAOEJZCAKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.51
TPSA
61.09

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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