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CAS 255714-24-0 4-(1-PIPERAZINYL)-1H-INDOLE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 255714-24-0

4-(1-PIPERAZINYL)-1H-INDOLE DIHYDROCHLORIDE

  • Product code: SSC-121661
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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: 5g
  • 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 255714-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

255714-24-0 / 4-piperazine-1,4-diium-1-yl-1H-indole dichloride

Standard CAS: 255714-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
255714-24-0
Multi CAS
No
Molecular Formula
C12H17Cl2N3
Molecular Weight
274.190000
Exact Mass
273.079953
SMILES
C1C[NH+](CC[NH2+]1)C2=CC=CC3=C2C=CN3.[Cl-].[Cl-]
InChI
InChI=1S/C12H15N3.2ClH/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15;;/h1-5,13-14H,6-9H2;2*1H
InChIKey
FHRAUNYCUBSDMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
60.31
TPSA
36.84

LogP / Solubility

WLOGP
-6.73
MLOGP
-5.91
XLogP3
-6.73
Consensus LogP
-6.46
Log S (ESOL)
2.37
Class (ESOL)
Highly soluble
Log S (Ali)
3.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.02
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.17

Drug-likeness / Medicinal Chemistry

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

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