CAS RN: 22921-68-2
2-Bromo-5-methoxybenzoic 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20260625 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-111521
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, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 100g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 1 In Stock | Beijing | Inquiry |
| 500g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
22921-68-2 / 2-bromo-5-methoxybenzoic acid
Basic Information
CAS
22921-68-2
Multi CAS
No
Molecular Formula
C8H7BrO3
Molecular Weight
231.040000
Exact Mass
229.957860
SMILES
COC1=CC(=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
ODHJOROUCITYNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.65
TPSA
46.53
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
3
Consensus LogP
2.35
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
