CAS RN: 16004-77-6
1,3,5,7-Tetraaminoadamantane, 99%（升华级）
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: LINT887604
16004-77-6 / adamantane-1,3,5,7-tetramine
Basic Information
CAS
16004-77-6
Multi CAS
No
Molecular Formula
C10H20N4
Molecular Weight
196.290000
Exact Mass
196.168797
SMILES
C1C2(CC3(CC1(CC(C2)(C3)N)N)N)N
InChI
InChI=1S/C10H20N4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6,11-14H2
InChIKey
MVWWMAVSZMEULL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
55.38
TPSA
104.08
LogP / Solubility
WLOGP
-0.84
MLOGP
-0.74
XLogP3
-2.5
Consensus LogP
-1.36
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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