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CAS 195520-32-2 2,2′-AZOBIS(N-BUTYL-2-METHYLPROPIONAMIDE) molecular structure lightbox
CAS RN: 195520-32-2

2,2′-AZOBIS(N-BUTYL-2-METHYLPROPIONAMIDE)

  • Product code: SSC-092214
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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 195520-32-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

195520-32-2 / N-butyl-2-[[1-(butylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

Standard CAS: 195520-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
195520-32-2
Multi CAS
No
Molecular Formula
C16H32N4O2
Molecular Weight
312.450000
Exact Mass
312.252526
SMILES
CCCCNC(=O)C(C)(C)N=NC(C)(C)C(=O)NCCCC
InChI
InChI=1S/C16H32N4O2/c1-7-9-11-17-13(21)15(3,4)19-20-16(5,6)14(22)18-12-10-8-2/h7-12H2,1-6H3,(H,17,21)(H,18,22)
InChIKey
SFLRURCEBYIKSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.85
TPSA
82.92

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

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