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CAS 1240587-88-5 3-TRIFLUOROMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 1240587-88-5

3-TRIFLUOROMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250311 100mg In stock Shanghai Inquiry
Batchno.20260103 1g In stock Shanghai Inquiry
Batchno.20260408 250mg In stock Shanghai Inquiry
Batchno.20251018 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250322 50mg In stock Shanghai Inquiry
Batchno.20251223 5g In stock Shanghai Inquiry
  • Product code: SSC-027835
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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 1240587-88-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1240587-88-5 / tert-butyl (3R)-3-(trifluoromethyl)piperazine-1-carboxylate

Standard CAS: 1240587-88-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240587-88-5
Multi CAS
No
Molecular Formula
C10H17F3N2O2
Molecular Weight
254.250000
Exact Mass
254.124212
SMILES
CC(C)(C)OC(=O)N1CCN[C@H](C1)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
WCGKHZHOGLVVPU-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.65
TPSA
41.57

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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