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CAS 924312-34-5 Ethyl 4-(2-Ethoxy-1,1-difluoro-2-oxoethyl)benzoate molecular structure lightbox
CAS RN: 924312-34-5

Ethyl 4-(2-Ethoxy-1,1-difluoro-2-oxoethyl)benzoate

  • Product code: SSC-206110
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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: 5g
  • 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 924312-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

924312-34-5 / ethyl 4-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate

Standard CAS: 924312-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
924312-34-5
Multi CAS
No
Molecular Formula
C13F2H14O4
Molecular Weight
272.240000
Exact Mass
272.086015
InChI
InChI=1S/C13H14F2O4/c1-3-18-11(16)9-5-7-10(8-6-9)13(14,15)12(17)19-4-2/h5-8H,3-4H2,1-2H3
InChIKey
QQTLNBYCRBFDCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
62.93
TPSA
52.6

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
3
Consensus LogP
2.58
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

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

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