CAS RN: 249647-24-3
3-BROMO-4-IODOBENZOIC ACID METHYL ESTER
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260102 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250313 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250910 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251024 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250806 | 5g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250322 | 5g / 10g / 25g / 100g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-120303
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: >98%
- Inventory rows with stock: 2
- 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 | Shanghai | Inquiry |
| 5g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
249647-24-3 / methyl 3-bromo-4-iodobenzoate
Basic Information
CAS
249647-24-3
Multi CAS
No
Molecular Formula
C8H6BrIO2
Molecular Weight
340.940000
Exact Mass
339.859590
SMILES
COC(=O)C1=CC(=C(C=C1)I)Br
InChI
InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChIKey
OIMBMPVAESWCEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.2
TPSA
26.3
LogP / Solubility
WLOGP
2.84
MLOGP
2.52
XLogP3
3.1
Consensus LogP
2.82
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-2.78
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
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