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CAS 721-63-1 ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE molecular structure lightbox
CAS RN: 721-63-1

ETHYL 4-(TRIFLUOROMETHYL)PHENYL ACETATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-181646
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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: 25g, 100g
  • Available purity: ≥98%
  • 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 721-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

721-63-1 / ethyl 2-[3-(trifluoromethyl)phenyl]acetate

Standard CAS: 721-63-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
721-63-1
Multi CAS
Yes
Molecular Formula
C11F3H11O2
Molecular Weight
232.200000
Exact Mass
232.071114
InChI
InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3
InChIKey
JDSJLOLGIHAOOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.78
TPSA
26.3

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
3.3
Consensus LogP
2.86
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-2.14

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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