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CAS 23409-32-7 3,6-bis-(4-amino-butyl)-piperazine-2,5-dione molecular structure lightbox
CAS RN: 23409-32-7

3,6-bis-(4-amino-butyl)-piperazine-2,5-dione

  • Product code: SSC-113159
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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 23409-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23409-32-7 / 3,6-bis(4-aminobutyl)piperazine-2,5-dione

Standard CAS: 23409-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23409-32-7
Multi CAS
No
Molecular Formula
C12H24N4O2
Molecular Weight
256.340000
Exact Mass
256.189926
SMILES
C(CCN)CC1C(=O)NC(C(=O)N1)CCCCN
InChI
InChI=1S/C12H24N4O2/c13-7-3-1-5-9-11(17)16-10(12(18)15-9)6-2-4-8-14/h9-10H,1-8,13-14H2,(H,15,18)(H,16,17)
InChIKey
NUYHTXOPSQBZKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
69.67
TPSA
110.24

LogP / Solubility

WLOGP
-0.77
MLOGP
-0.67
XLogP3
-1
Consensus LogP
-0.81
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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