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CAS 1862201-59-9 1-Benzyl-4-bicyclo[1.1.1]pent-1-yl-piperazine molecular structure lightbox
CAS RN: 1862201-59-9

1-Benzyl-4-bicyclo[1.1.1]pent-1-yl-piperazine

  • Product code: SSC-086305
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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 1862201-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1862201-59-9 / 1-benzyl-4-(1-bicyclo[1.1.1]pentanyl)piperazine

Standard CAS: 1862201-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1862201-59-9
Multi CAS
No
Molecular Formula
C16H22N2
Molecular Weight
242.360000
Exact Mass
242.178299
SMILES
C1CN(CCN1CC2=CC=CC=C2)C34CC(C3)C4
InChI
InChI=1S/C16H22N2/c1-2-4-14(5-3-1)13-17-6-8-18(9-7-17)16-10-15(11-16)12-16/h1-5,15H,6-13H2
InChIKey
SHUCDXXXFCPPEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.36
TPSA
6.48

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.3
Consensus LogP
2.25
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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