[email protected]
CAS 20662-52-6 4,4-Bis(4-fluorophenyl)butyric acid molecular structure lightbox
CAS RN: 20662-52-6

4,4-Bis(4-fluorophenyl)butyric acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100mg In stock Shanghai Inquiry
  • Product code: SSC-097340
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 20662-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

20662-52-6 / 4,4-bis(4-fluorophenyl)butanoic acid

Standard CAS: 20662-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20662-52-6
Multi CAS
No
Molecular Formula
C16H14F2O2
Molecular Weight
276.280000
Exact Mass
276.096186
SMILES
C1=CC(=CC=C1C(CCC(=O)O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C16H14F2O2/c17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2,(H,19,20)
InChIKey
CZNWJIAAVVXYFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.51
TPSA
37.3

LogP / Solubility

WLOGP
3.96
MLOGP
3.5
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us