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CAS 23912-70-1 1-(2,3-dihydro-1H-inden-2-yl)piperazine(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 23912-70-1

1-(2,3-dihydro-1H-inden-2-yl)piperazine(SALTDATA: 2HCl)

  • Product code: SSC-116833
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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 23912-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

23912-70-1 / 1-(2,3-dihydro-1H-inden-2-yl)piperazine

Standard CAS: 23912-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23912-70-1
Multi CAS
No
Molecular Formula
C13H18N2
Molecular Weight
202.300000
Exact Mass
202.146999
SMILES
C1CN(CCN1)C2CC3=CC=CC=C3C2
InChI
InChI=1S/C13H18N2.2ClH/c1-2-4-12-10-13(9-11(12)3-1)15-7-5-14-6-8-15;;/h1-4,13-14H,5-10H2;2*1H
InChIKey
CHXVIAWGVGKXPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.08
TPSA
15.27

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.7
Consensus LogP
1.23
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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