CAS RN: 913836-16-5
5-BROMO-2-HYDROXY-4-PYRIDINECARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-204411
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 |
913836-16-5 / 5-bromo-2-oxo-1H-pyridine-4-carboxylic acid
Basic Information
CAS
913836-16-5
Multi CAS
Yes
Molecular Formula
BC6H4O3Rn
Molecular Weight
218.000000
Exact Mass
216.937460
InChI
InChI=1S/C6H4BrNO3/c7-4-2-8-5(9)1-3(4)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChIKey
SXQBUACWNOVEDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.72
TPSA
70.16
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
-0.1
Consensus LogP
0.49
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.46
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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- CAS RN: 913836-22-3
- Product Code: SSC-204416
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