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CAS 106263-53-0 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 106263-53-0

3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251002 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-008027
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 106263-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

106263-53-0 / ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate

Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate | ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate | DTXSID70375095

Standard CAS: 106263-53-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106263-53-0
Multi CAS
Yes
Molecular Formula
C12H11F3O3
Molecular Weight
260.210000
Exact Mass
260.066029
SMILES
CCOC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3
InChIKey
HVHVSJPSNQIPEM-UHFFFAOYSA-N
Synonyms
Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate DTXSID70375095 RefChem:1084873 DTXCID30326124

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
57.02
TPSA
43.37

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.8
Consensus LogP
2.72
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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