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CAS 88767-98-0 Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate molecular structure lightbox
CAS RN: 88767-98-0

Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251127 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 1g In stock Shanghai Inquiry
Batchno.20250317 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250512 5g In stock Tianjin Inquiry
  • Product code: SSC-200427
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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 88767-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

88767-98-0 / ethyl (2S)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate

Standard CAS: 88767-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88767-98-0
Multi CAS
Yes
Molecular Formula
C13F3H15O5S
Molecular Weight
340.320000
Exact Mass
340.059229
InChI
InChI=1S/C13H15F3O5S/c1-2-20-12(17)11(21-22(18,19)13(14,15)16)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChIKey
UDJNHUAEPSYCRU-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
71.24
TPSA
69.67

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
3.5
Consensus LogP
2.69
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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