CAS RN: 39891-12-8
5-BROMO-3-PYRIDYLACETIC ACID
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.20250605 | 100mg / 250mg / 1g / 10g / 25g / 50g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-147677
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, 5g, 0.1g, 0.25g, 10g, 25g
- Available purity: >96%
- Inventory rows with stock: 4
- 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 | >96% | 4 In Stock | Beijing | Inquiry |
| 5g | >96% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | >96% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >96% | 2 In Stock | Beijing | Inquiry |
| 10g | >96% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >96% | 0 Out of Stock | Shanghai | Inquiry |
39891-12-8 / 2-(5-bromo-3-pyridinyl)acetic acid
Basic Information
CAS
39891-12-8
Multi CAS
No
Molecular Formula
BC7H6O2Rn
Molecular Weight
216.030000
Exact Mass
214.958190
InChI
InChI=1S/C7H6BrNO2/c8-6-1-5(2-7(10)11)3-9-4-6/h1,3-4H,2H2,(H,10,11)
InChIKey
UETIDNDXXGCJCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.28
TPSA
50.19
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1
Consensus LogP
1.26
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
