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CAS 1401065-46-0 (S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)oxazolidin-2-one molecular structure lightbox
CAS RN: 1401065-46-0

(S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)oxazolidin-2-one

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 100mg Out of stock Inquiry
Batchno.20260404 100mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250920 1g Out of stock Inquiry
Batchno.20250719 250mg Out of stock Inquiry
  • Product code: SSC-050594
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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: ＞97%
  • 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 1401065-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1401065-46-0 / (4S)-4-benzyl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one

Standard CAS: 1401065-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401065-46-0
Multi CAS
No
Molecular Formula
C15H16F3NO3
Molecular Weight
315.290000
Exact Mass
315.108228
SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCCC(F)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C15H16F3NO3/c16-15(17,18)8-4-7-13(20)19-12(10-22-14(19)21)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKey
QSGUHOHVMQJOMR-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
72.03
TPSA
46.61

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

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

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