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CAS 1429902-34-0 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1429902-34-0

5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-054295
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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 1429902-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1429902-34-0 / 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxylic acid

Standard CAS: 1429902-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429902-34-0
Multi CAS
No
Molecular Formula
C11H8F3NO3
Molecular Weight
259.180000
Exact Mass
259.045628
SMILES
C1C(CN(C1=O)C2=CC(=C(C(=C2)F)F)F)C(=O)O
InChI
InChI=1S/C11H8F3NO3/c12-7-2-6(3-8(13)10(7)14)15-4-5(11(17)18)1-9(15)16/h2-3,5H,1,4H2,(H,17,18)
InChIKey
TWMJTCGYMWSPCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.41
TPSA
57.61

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
0.8
Consensus LogP
1.23
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

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
2

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