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: 0.25g, 1g, 5g, 10g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 3 In Stock | Shenzhen | Inquiry |
1260859-19-5 / 5-bromo-2-iodo-4-methylpyrimidine
Basic Information
CAS
1260859-19-5
Multi CAS
No
Molecular Formula
C5H4BrIN2
Molecular Weight
298.910000
Exact Mass
297.860260
SMILES
CC1=NC(=NC=C1Br)I
InChI
InChI=1S/C5H4BrIN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKey
VZLFDSURYRXHTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
47.19
TPSA
25.78
LogP / Solubility
WLOGP
2.15
MLOGP
1.91
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.02
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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