CAS RN: 1649454-57-8
5-bromo-4-cyclopropyl-6-methoxypyrimidine(WX192148)
- Product code: SSC-072089
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, 25g, 0.1g, 1g, 5g, 10g, 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
1649454-57-8 / 5-bromo-4-cyclopropyl-6-methoxypyrimidine
Basic Information
CAS
1649454-57-8
Multi CAS
No
Molecular Formula
C8H9BrN2O
Molecular Weight
229.070000
Exact Mass
227.989830
SMILES
COC1=NC=NC(=C1Br)C2CC2
InChI
InChI=1S/C8H9BrN2O/c1-12-8-6(9)7(5-2-3-5)10-4-11-8/h4-5H,2-3H2,1H3
InChIKey
FHEYKQYHQQAZBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.26
TPSA
35.01
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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