CAS RN: 18013-97-3
Diethyl 2,5-Dibromoterephthalate
Product Availability
Choose a grade to view its available package options.
13 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251027 | 100g | Out of stock | Inquiry | |
| Batchno.20260619 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250920 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250511 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260310 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250403 | 500g | Out of stock | Inquiry | |
| Batchno.20250513 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: SSC-080497
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, 1g, 25g, 100g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 4 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
18013-97-3 / diethyl 2,5-dibromobenzene-1,4-dicarboxylate
Basic Information
CAS
18013-97-3
Multi CAS
No
Molecular Formula
C12H12Br2O4
Molecular Weight
380.030000
Exact Mass
379.908180
SMILES
CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Br
InChI
InChI=1S/C12H12Br2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3
InChIKey
WXRSDHICEYICMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
73.76
TPSA
52.6
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
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
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
