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CAS 952057-61-3 Benzyl 2,2,2-Trifluoro-N-phenylacetimidate molecular structure lightbox
CAS RN: 952057-61-3

Benzyl 2,2,2-Trifluoro-N-phenylacetimidate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 200mg / 1g Out of stock 30 business days Inquiry
  • Product code: SSC-210482
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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: ≥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 952057-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

952057-61-3 / benzyl 2,2,2-trifluoro-N-phenylethanimidate

Standard CAS: 952057-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
952057-61-3
Multi CAS
No
Molecular Formula
C15F3H12NO
Molecular Weight
279.260000
Exact Mass
279.087098
InChI
InChI=1S/C15H12F3NO/c16-15(17,18)14(19-13-9-5-2-6-10-13)20-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
KVGZVQNJUZHPJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
70.82
TPSA
21.59

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.6
Consensus LogP
4.36
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

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

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