CAS RN: 32509-44-7
1-DecylaMine HydrobroMide
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS32509-44-7
- Purity/Analytical Methods: >99.0%
32509-44-7 / decylazanium bromide
Basic Information
CAS
32509-44-7
Multi CAS
Yes
Molecular Formula
BC10H24Rn
Molecular Weight
238.210000
Exact Mass
237.109210
InChI
InChI=1S/C10H23N.BrH/c1-2-3-4-5-6-7-8-9-10-11;/h2-11H2,1H3;1H
InChIKey
RIPUKAXZALFIMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.37
TPSA
27.64
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.55
XLogP3
-0.63
Consensus LogP
-0.6
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.62
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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