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CAS 208711-30-2 Di(1-piperazinyl)Methanone Dihydrochloride molecular structure lightbox
CAS RN: 208711-30-2

Di(1-piperazinyl)Methanone Dihydrochloride

  • Product code: SSC-098074
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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: 0.25g, 0.1g, 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 208711-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

208711-30-2 / di(piperazin-1-yl)methanone;dihydrochloride

Standard CAS: 208711-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208711-30-2
Multi CAS
No
Molecular Formula
C9H20Cl2N4O
Molecular Weight
271.180000
Exact Mass
270.101417
SMILES
C1CN(CCN1)C(=O)N2CCNCC2.Cl.Cl
InChI
InChI=1S/C9H18N4O.2ClH/c14-9(12-5-1-10-2-6-12)13-7-3-11-4-8-13;;/h10-11H,1-8H2;2*1H
InChIKey
UYTQLAALIXSTLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.78
TPSA
47.61

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.2
XLogP3
-0.24
Consensus LogP
-0.23
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-4.54

Drug-likeness / Medicinal Chemistry

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

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