![CAS 1421433-87-5 7-Chloro-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421433-87-5.gif)
CAS RN: 1421433-87-5
7-Chloro-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251125 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1421433-87-5
- Purity/Analytical Methods: >99.0%
1421433-87-5 / 7-chloro-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
Basic Information
CAS
1421433-87-5
Multi CAS
No
Molecular Formula
C6H6ClN3O
Molecular Weight
171.580000
Exact Mass
171.019940
SMILES
C1CN2C(=CC(=NC2=O)Cl)N1
InChI
InChI=1S/C6H6ClN3O/c7-4-3-5-8-1-2-10(5)6(11)9-4/h3,8H,1-2H2
InChIKey
TWFJFNDXCRKLBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42
TPSA
46.92
LogP / Solubility
WLOGP
0.32
MLOGP
0.28
XLogP3
0.5
Consensus LogP
0.37
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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