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, 500g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 500g | -- | 1 In Stock | Shenzhen | Inquiry |
| 500g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
502496-33-5 / 1-bromo-5-fluoro-2-methyl-3-nitrobenzene
Basic Information
CAS
502496-33-5
Multi CAS
No
Molecular Formula
BC7H5NO2Rf
Molecular Weight
234.020000
Exact Mass
232.948770
InChI
InChI=1S/C7H5BrFNO2/c1-4-6(8)2-5(9)3-7(4)10(11)12/h2-3H,1H3
InChIKey
ZVDFTBJXUXQPAU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.49
TPSA
43.14
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
