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CAS 122306-11-0 1-naphthylacetylspermine molecular structure lightbox
CAS RN: 122306-11-0

1-naphthylacetylspermine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS122306-11-0
  • Purity/Analytical Methods: >99.0%
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122306-11-0 / N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide

Standard CAS: 122306-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122306-11-0
Multi CAS
No
Molecular Formula
C22H34N4O
Molecular Weight
370.500000
Exact Mass
370.273262
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCNCCCCNCCCN
InChI
InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)
InChIKey
ZUINPPQIQARTKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
113.92
TPSA
79.18

LogP / Solubility

WLOGP
2.2
MLOGP
1.95
XLogP3
2
Consensus LogP
2.05
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

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

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