![CAS 5661-03-0 octahydrocyclopenta[c]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5661-03-0.gif)
CAS RN: 5661-03-0
octahydrocyclopenta[c]pyrrole
Product Availability
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3 package records1 with current stock2 grade groups
- Product code: starshine_CAS5661-03-0
- Purity/Analytical Methods: >99.0%
5661-03-0 / 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
Basic Information
CAS
5661-03-0
Multi CAS
Yes
Molecular Formula
C7H13N
Molecular Weight
111.180000
Exact Mass
111.104799
InChI
InChI=1S/C7H13N/c1-2-6-4-8-5-7(6)3-1/h6-8H,1-5H2
InChIKey
UZHVXJZEHGSWQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.7
TPSA
12.03
LogP / Solubility
WLOGP
1.01
MLOGP
0.87
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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