![CAS 2351094-67-0 8-Bromo-5-chloro-7-methylimidazo[1,2-c]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2351094-67-0.gif)
CAS RN: 2351094-67-0
8-Bromo-5-chloro-7-methylimidazo[1,2-c]pyrimidine
- Product code: SSC-113716
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, 0.25g, 0.1g, 5g
- Available purity: ≥95%
- 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.
2351094-67-0 / 8-bromo-5-chloro-7-methylimidazo[1,2-c]pyrimidine
Basic Information
CAS
2351094-67-0
Multi CAS
No
Molecular Formula
C7H5BrClN3
Molecular Weight
246.490000
Exact Mass
244.935540
SMILES
CC1=C(C2=NC=CN2C(=N1)Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-4-5(8)6-10-2-3-12(6)7(9)11-4/h2-3H,1H3
InChIKey
CWMWZGDKBJDCPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
50.43
TPSA
30.19
LogP / Solubility
WLOGP
2.45
MLOGP
2.16
XLogP3
3.2
Consensus LogP
2.6
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.48
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 2351219-88-8 (R)-3-(tert-butyl)-4-(2,6-dimethoxy-3,5-dimethylphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB14671094.gif)
![CAS 2351219-89-9 (R)-3-(tert-butyl)-4-(4′,6′-dimethoxy-[1,1′:3′,1”-terphenyl]-5′-yl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB04671097.gif)
![CAS 2351219-90-2 (R)-3-(tert-butyl)-4-(3,5-diisopropyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB74671096.gif)
