![CAS 784093-32-9 3-PHENYLBICYCLO[1.1.1]PENTAN-1-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/784093-32-9.gif)
CAS RN: 784093-32-9
3-PHENYLBICYCLO[1.1.1]PENTAN-1-AMINE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS784093-32-9
- Purity/Analytical Methods: >99.0%
784093-32-9 / 3-phenylbicyclo[1.1.1]pentan-1-amine
Basic Information
CAS
784093-32-9
Multi CAS
No
Molecular Formula
C11H13N
Molecular Weight
159.230000
Exact Mass
159.104799
InChI
InChI=1S/C11H13N/c12-11-6-10(7-11,8-11)9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKey
YCBHYVJNMCHXQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.89
TPSA
26.02
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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