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CAS 234082-33-8 tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 234082-33-8

tert-Butyl 4-(4-(ethoxycarbonyl)phenyl)piperazine-1-carboxylate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 1g In stock Shanghai Inquiry
Batchno.20250207 250mg In stock Shanghai Inquiry
Batchno.20250413 5g In stock Shanghai Inquiry
  • Product code: SSC-113155
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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 234082-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

234082-33-8 / tert-butyl 4-(4-ethoxycarbonylphenyl)piperazine-1-carboxylate

Standard CAS: 234082-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234082-33-8
Multi CAS
No
Molecular Formula
C18H26N2O4
Molecular Weight
334.400000
Exact Mass
334.189257
SMILES
CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H26N2O4/c1-5-23-16(21)14-6-8-15(9-7-14)19-10-12-20(13-11-19)17(22)24-18(2,3)4/h6-9H,5,10-13H2,1-4H3
InChIKey
SBIWRFCYFYWFLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
92.42
TPSA
59.08

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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