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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 2 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
64591-03-3 / 2,5-dibromo-1H-imidazole
Basic Information
CAS
64591-03-3
Multi CAS
Yes
Molecular Formula
C3H2BR2N2
Molecular Weight
225.870000
Exact Mass
225.856420
InChI
InChI=1S/C3H2Br2N2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
InChIKey
KJBTZMYWBSAZAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.99
TPSA
28.68
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
2.1
Consensus LogP
1.91
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 64614-49-9 4-[(6-chloropyridin-3-yl)carbonyl]morpholine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64614-49-9.gif)
