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CAS 83898-32-2 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile molecular structure lightbox
CAS RN: 83898-32-2

2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile

  • Product code: SSC-191567
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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 83898-32-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

83898-32-2 / 2-(1-benzylpiperidin-4-yl)-2-phenylpentanedinitrile

Standard CAS: 83898-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83898-32-2
Multi CAS
No
Molecular Formula
C23H25N3
Molecular Weight
343.500000
Exact Mass
343.204848
InChI
InChI=1S/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2
InChIKey
DYAREKOTPJQVFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
103.02
TPSA
50.82

LogP / Solubility

WLOGP
4.66
MLOGP
4.12
XLogP3
3.8
Consensus LogP
4.19
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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