![CAS 1256823-72-9 7H-Cyclopenta[b]pyridin-7-one, 2-bromo-5,6-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256823-72-9.gif)
CAS RN: 1256823-72-9
7H-Cyclopenta[b]pyridin-7-one, 2-bromo-5,6-dihydro-
- Product code: SSC-030839
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1256823-72-9 / 2-bromo-5,6-dihydrocyclopenta[b]pyridin-7-one
Basic Information
CAS
1256823-72-9
Multi CAS
No
Molecular Formula
C8H6BrNO
Molecular Weight
212.040000
Exact Mass
210.963280
SMILES
C1CC(=O)C2=C1C=CC(=N2)Br
InChI
InChI=1S/C8H6BrNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4H,1,3H2
InChIKey
NRMWRJIKUYDPDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
44.59
TPSA
29.96
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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