CAS RN: 21740-00-1
5-Bromo-2-iodobenzoic Acid
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260313 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260104 | 100g | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20260228 | 10g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20251021 | 1kg | In stock | Shanghai | Inquiry | |
| Batchno.20250615 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260406 | 500g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250523 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-104987
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, 500g
- Available purity: ≥98%
- 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 | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
21740-00-1 / 5-bromo-2-iodobenzoic acid
Basic Information
CAS
21740-00-1
Multi CAS
No
Molecular Formula
C7H4BrIO2
Molecular Weight
326.910000
Exact Mass
325.843940
SMILES
C1=CC(=C(C=C1Br)C(=O)O)I
InChI
InChI=1S/C7H4BrIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
IGBNDUKRHPTOBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.82
TPSA
37.3
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
