CAS RN: 1049731-36-3
1-NAPHTHYLACETYL SPERMINE TRIHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250513 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250717 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250601 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260205 | 250mg | Out of stock | Inquiry | |
| Batchno.20250715 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260303 | 50mg | In stock | Shenzhen | Inquiry |
| Batchno.20260425 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1049731-36-3
- Purity/Analytical Methods: >99.0%
1049731-36-3 / N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide;trihydrochloride
NASPM trihydrochloride | 1-Naphthylacetyl spermine trihydrochloride | Naspm (trihydrochloride)
Basic Information
CAS
1049731-36-3
Multi CAS
Yes
Molecular Formula
C22H37Cl3N4O
Molecular Weight
479.900000
Exact Mass
478.203295
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl
InChI
InChI=1S/C22H34N4O.3ClH/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);3*1H
InChIKey
JNEOJAUJWOPWJS-UHFFFAOYSA-N
Synonyms
NASPM trihydrochloride
1-Naphthylacetyl spermine trihydrochloride
Naspm (trihydrochloride)
naspm 3hcl
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide;trihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
135.67
TPSA
79.18
LogP / Solubility
WLOGP
3.46
MLOGP
3.08
XLogP3
3.46
Consensus LogP
3.33
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.33
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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