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CAS 73789-98-7 Ethyl 2-(4-Biphenylyl)-2,2-difluoroacetate molecular structure lightbox
CAS RN: 73789-98-7

Ethyl 2-(4-Biphenylyl)-2,2-difluoroacetate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250212 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-183209
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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 73789-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

73789-98-7 / ethyl 2,2-difluoro-2-(4-phenylphenyl)acetate

Standard CAS: 73789-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73789-98-7
Multi CAS
No
Molecular Formula
C16F2H14O2
Molecular Weight
276.280000
Exact Mass
276.096186
InChI
InChI=1S/C16H14F2O2/c1-2-20-15(19)16(17,18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey
MOLYMHPFNGLCBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
72.41
TPSA
26.3

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4.4
Consensus LogP
3.98
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.56

Drug-likeness / Medicinal Chemistry

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

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