![CAS 66799-93-7 7-bromobenzo[d][1,3]dioxole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/66799-93-7.gif)
CAS RN: 66799-93-7
7-bromobenzo[d][1,3]dioxole-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-176449
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, 0.25g, 5g, 10g, 0.1g, 25g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
| 0.25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | >97% | 2 In Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
66799-93-7 / 7-bromo-1,3-benzodioxole-5-carboxylic acid
Basic Information
CAS
66799-93-7
Multi CAS
Yes
Molecular Formula
C8H5BRO4
Molecular Weight
245.030000
Exact Mass
243.937120
InChI
InChI=1S/C8H5BrO4/c9-5-1-4(8(10)11)2-6-7(5)13-3-12-6/h1-2H,3H2,(H,10,11)
InChIKey
HLQBEIBAXJNCPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.22
TPSA
55.76
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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