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CAS 225517-81-7 (S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 225517-81-7

(S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100mg In stock Shanghai Inquiry
Batchno.20260115 1g Out of stock Inquiry
Batchno.20250720 250mg In stock Shanghai Inquiry
  • Product code: SSC-110304
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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: 0.25g
  • 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 225517-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

225517-81-7 / 1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate

Standard CAS: 225517-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225517-81-7
Multi CAS
No
Molecular Formula
C14H18N2O4
Molecular Weight
278.300000
Exact Mass
278.126657
SMILES
COC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-/m0/s1
InChIKey
FYKXWBBQYZXPFB-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
72.01
TPSA
67.87

LogP / Solubility

WLOGP
0.77
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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