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CAS 169447-86-3 (S)-1-Boc-2-benzylpiperazine molecular structure lightbox
CAS RN: 169447-86-3

(S)-1-Boc-2-benzylpiperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250809 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-074031
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 169447-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 3 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

169447-86-3 / tert-butyl (2S)-2-benzylpiperazine-1-carboxylate

Standard CAS: 169447-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169447-86-3
Multi CAS
No
Molecular Formula
C16H24N2O2
Molecular Weight
276.370000
Exact Mass
276.183778
SMILES
CC(C)(C)OC(=O)N1CCNC[C@@H]1CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChIKey
QKUHUJCLUFLGCI-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.74
TPSA
41.57

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.67

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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