CAS RN: 23351-91-9
5-Bromoisophthalic Acid
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260530 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250802 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260425 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260212 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260312 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250519 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20251216 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-113072
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, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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 | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
23351-91-9 / 5-bromobenzene-1,3-dicarboxylic acid
Basic Information
CAS
23351-91-9
Multi CAS
No
Molecular Formula
C8H5BrO4
Molecular Weight
245.030000
Exact Mass
243.937120
SMILES
C1=C(C=C(C=C1C(=O)O)Br)C(=O)O
InChI
InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
JATKASGNRMGFSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.06
TPSA
74.6
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
