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: 10g, 0.1g, 0.25g, 1g, 5g, 25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 1g | >98% | 2 In Stock | Beijing | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
1092352-40-3 / 4-bromo-3,5-difluoropyridine
4-Bromo-3,5-difluoropyridine | DTXSID40653357 | RefChem:290803
Basic Information
CAS
1092352-40-3
Multi CAS
No
Molecular Formula
C5H2BrF2N
Molecular Weight
193.980000
Exact Mass
192.933870
SMILES
C1=C(C(=C(C=N1)F)Br)F
InChI
InChI=1S/C5H2BrF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
InChIKey
GUHHQICCMWFQAY-UHFFFAOYSA-N
Synonyms
4-Bromo-3,5-difluoropyridine
DTXSID40653357
RefChem:290803
DTXCID40604107
802-619-9
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
31.85
TPSA
12.89
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
1.7
Consensus LogP
1.9
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317
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