![CAS 158331-18-1 3-BROMO-6,7-DIHYDRO-5H-[1]PYRINDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/158331-18-1.gif)
CAS RN: 158331-18-1
3-BROMO-6,7-DIHYDRO-5H-[1]PYRINDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250123 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-066773
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 0.1g, 0.25g, 5g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
158331-18-1 / 3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine
Basic Information
CAS
158331-18-1
Multi CAS
No
Molecular Formula
C8H8BrN
Molecular Weight
198.060000
Exact Mass
196.984010
SMILES
C1CC2=C(C1)N=CC(=C2)Br
InChI
InChI=1S/C8H8BrN/c9-7-4-6-2-1-3-8(6)10-5-7/h4-5H,1-3H2
InChIKey
AOUSQPREWBGRAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
1
Molar refractivity
43.96
TPSA
12.89
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.27
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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![CAS 158364-59-1 Carbamic acid,N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]-,methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/158364-59-1.gif)
