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, 1000g
- Available purity: ≥96%
- 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 | ≥96% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥96% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥96% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥96% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥96% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥96% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | ≥96% | 0 Out of Stock | Shenzhen | Inquiry |
936-08-3 / 2-bromo-4-chlorobenzoic acid
Basic Information
CAS
936-08-3
Multi CAS
Yes
Molecular Formula
C7H4BRCLO2
Molecular Weight
235.460000
Exact Mass
233.908320
InChI
InChI=1S/C7H4BrClO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
USMQLFCVCDEXAK-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
46.11
TPSA
37.3
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
