CAS RN: 34450-15-2
N8-ACETYLSPERMIDINE DIHYDROCHLORIDE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS34450-15-2
- Purity/Analytical Methods: >99.0%
34450-15-2 / N-[4-(3-aminopropylamino)butyl]acetamide;dihydrochloride
Basic Information
CAS
34450-15-2
Multi CAS
Yes
Molecular Formula
C9H23CL2N3O
Molecular Weight
260.200000
Exact Mass
259.121818
InChI
InChI=1S/C9H21N3O.2ClH/c1-9(13)12-8-3-2-6-11-7-4-5-10;;/h11H,2-8,10H2,1H3,(H,12,13);2*1H
InChIKey
BWGUIRARVGYOIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
3
Molar refractivity
68.95
TPSA
67.15
LogP / Solubility
WLOGP
0.68
MLOGP
0.61
XLogP3
0.68
Consensus LogP
0.66
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-3.82
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
1.5
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