![CAS 127430-46-0 HEXAHYDRO-CYCLOPENTA[C]PYRROL-4-ONE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127430-46-0.gif)
CAS RN: 127430-46-0
HEXAHYDRO-CYCLOPENTA[C]PYRROL-4-ONE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS127430-46-0
- Purity/Analytical Methods: >99.0%
127430-46-0 / 2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
Basic Information
CAS
127430-46-0
Multi CAS
No
Molecular Formula
C7H12ClNO
Molecular Weight
161.630000
Exact Mass
161.060742
SMILES
C1CC(=O)C2C1CNC2.Cl
InChI
InChI=1S/C7H11NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-6,8H,1-4H2;1H
InChIKey
NCJPVPGXNDVUCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.34
TPSA
29.1
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.61
Consensus LogP
0.58
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.28
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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