![CAS 2095237-01-5 8-Bromo-5-chloro-imidazo[1,2-c]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095237-01-5.png)
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, 0.1g, 0.25g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
2095237-01-5 / 8-bromo-5-chloroimidazo[1,2-c]pyrimidine
Basic Information
CAS
2095237-01-5
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=CN2C(=N1)C(=CN=C2Cl)Br
InChI
InChI=1S/C6H3BrClN3/c7-4-3-10-6(8)11-2-1-9-5(4)11/h1-3H
InChIKey
ZIEPMURXMHFKFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.7
TPSA
30.19
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.8
Consensus LogP
2.28
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
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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![CAS 2095304-34-8 (S)-2-([2,2′-bipyridin]-6-yl)-4-(tert-butyl)-4,5-dihydrooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095304-34-8.png)
