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, 0.25g, 500g
- Available purity: >95%
- Inventory rows with stock: 7
- 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 | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Shanghai | Inquiry |
| 100g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Beijing | Inquiry |
| 500g | >95% | 2 In Stock | Shenzhen | Inquiry |
1435806-75-9 / 5-bromo-1-chloro-2-fluoro-3-nitrobenzene
Basic Information
CAS
1435806-75-9
Multi CAS
No
Molecular Formula
C6H2BrClFNO2
Molecular Weight
254.440000
Exact Mass
252.894150
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)Br
InChI
InChI=1S/C6H2BrClFNO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
InChIKey
PNEWAZPHMNCPPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.76
TPSA
43.14
LogP / Solubility
WLOGP
3.15
MLOGP
2.78
XLogP3
3.2
Consensus LogP
3.04
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.04
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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