![CAS 156073-28-8 3-BroMo-8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156073-28-8.gif)
CAS RN: 156073-28-8
3-BroMo-8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-065223
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 | Shanghai | Inquiry |
156073-28-8 / 6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Basic Information
CAS
156073-28-8
Multi CAS
No
Molecular Formula
C14H9BrClNO
Molecular Weight
322.580000
Exact Mass
320.955600
SMILES
C1CC2=C(C(=O)C3=C1C=C(C=C3)Cl)N=CC(=C2)Br
InChI
InChI=1S/C14H9BrClNO/c15-10-5-9-2-1-8-6-11(16)3-4-12(8)14(18)13(9)17-7-10/h3-7H,1-2H2
InChIKey
CSUZZEVXBPNANR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
74.23
TPSA
29.96
LogP / Solubility
WLOGP
3.83
MLOGP
3.38
XLogP3
4.2
Consensus LogP
3.8
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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