![CAS 1196156-82-7 3-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196156-82-7.gif)
CAS RN: 1196156-82-7
3-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE
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.20250415 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1196156-82-7
- Purity/Analytical Methods: >99.0%
1196156-82-7 / 3-fluoro-6,7-dihydrocyclopenta[b]pyridin-5-one
3-fluoro-6,7-dihydrocyclopenta[b]pyridin-5-one | MFCD13190268 | 3-Fluoro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-one
Basic Information
CAS
1196156-82-7
Multi CAS
Yes
Molecular Formula
C8H6FNO
Molecular Weight
151.140000
Exact Mass
151.043342
SMILES
C1CC(=O)C2=C1N=CC(=C2)F
InChI
InChI=1S/C8H6FNO/c9-5-3-6-7(10-4-5)1-2-8(6)11/h3-4H,1-2H2
InChIKey
SCVBVGCKBPPWCZ-UHFFFAOYSA-N
Synonyms
3-fluoro-6,7-dihydrocyclopenta[b]pyridin-5-one
MFCD13190268
3-Fluoro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-one
DTXSID201230373
BS-43404
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
36.85
TPSA
29.96
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
0.7
Consensus LogP
1.08
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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
1.5
