CAS RN: 1609646-56-1
2-Bromo-6-Carboxy-1-Oxo-1,2-Dihydropyridin-1-Ium
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.20251007 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-068731
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 | Hong Kong | Inquiry |
1609646-56-1 / 2-bromo-1-oxo-2H-pyridin-1-ium-6-carboxylic acid
Basic Information
CAS
1609646-56-1
Multi CAS
No
Molecular Formula
C6H5BrNO3+
Molecular Weight
219.010000
Exact Mass
217.945280
SMILES
C1=CC([N+](=O)C(=C1)C(=O)O)Br
InChI
InChI=1S/C6H4BrNO3/c7-5-3-1-2-4(6(9)10)8(5)11/h1-3,5H/p+1
InChIKey
IWZAAWIFVRILMQ-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.2
TPSA
57.38
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.33
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
2
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