![CAS 1414958-77-2 6,7-Dihydro-5H-cyclopenta[c]pyridin-5-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414958-77-2(1).gif)
CAS RN: 1414958-77-2
6,7-Dihydro-5H-cyclopenta[c]pyridin-5-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.20250124 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1414958-77-2
- Purity/Analytical Methods: >99.0%
1414958-77-2 / 6,7-dihydrocyclopenta[c]pyridin-5-one;hydrochloride
Basic Information
CAS
1414958-77-2
Multi CAS
No
Molecular Formula
C8H8ClNO
Molecular Weight
169.610000
Exact Mass
169.029442
SMILES
C1CC(=O)C2=C1C=NC=C2.Cl
InChI
InChI=1S/C8H7NO.ClH/c10-8-2-1-6-5-9-4-3-7(6)8;/h3-5H,1-2H2;1H
InChIKey
OMTACNDYIQHRHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.14
TPSA
29.96
LogP / Solubility
WLOGP
1.63
MLOGP
1.43
XLogP3
1.63
Consensus LogP
1.56
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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