CAS RN: 104612-36-4
5-Bromo-2-hydroxynicotinic Acid
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260201 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: SSC-006370
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: 5g, 25g, 100g, 10g, 1g, 500g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
104612-36-4 / 5-bromo-2-oxo-1H-pyridine-3-carboxylic acid
5-bromo-2-hydroxynicotinic acid | DTXSID30377257 | RefChem:1072689
Basic Information
CAS
104612-36-4
Multi CAS
Yes
Molecular Formula
C6H4BrNO3
Molecular Weight
218.000000
Exact Mass
216.937460
SMILES
C1=C(C(=O)NC=C1Br)C(=O)O
InChI
InChI=1S/C6H4BrNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
InChIKey
GYXOTADLHQJPIP-UHFFFAOYSA-N
Synonyms
5-bromo-2-hydroxynicotinic acid
DTXSID30377257
RefChem:1072689
DTXCID90328285
5-BROMO-1,2-DIHYDRO-2-OXO-3-PYRIDINECARBOXYLIC ACID
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
0.9
Consensus LogP
0.83
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
