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
- Available purity: >96%
- Inventory rows with stock: 6
- 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 | Shenzhen | Inquiry |
| 5g | >96% | 5 In Stock | Shanghai | Inquiry |
| 10g | >96% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >96% | 5 In Stock | Shanghai | Inquiry |
| 100g | >96% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >96% | 3 In Stock | Beijing | Inquiry |
885588-14-7 / methyl 2-bromo-5-fluoropyridine-4-carboxylate
Basic Information
CAS
885588-14-7
Multi CAS
No
Molecular Formula
BC7H5NO2Rf
Molecular Weight
234.020000
Exact Mass
232.948770
InChI
InChI=1S/C7H5BrFNO2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,1H3
InChIKey
HLTNRIWFYBDWKA-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
3
Molar refractivity
43.23
TPSA
39.19
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.89
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
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