![CAS 1250998-26-5 Ethyl 2-Chloroimidazo[1,5-A]Pyrimidine-8-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250998-26-5.gif)
CAS RN: 1250998-26-5
Ethyl 2-Chloroimidazo[1,5-A]Pyrimidine-8-Carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1250998-26-5
- Purity/Analytical Methods: >99.0%
1250998-26-5 / ethyl 2-chloroimidazo[1,5-a]pyrimidine-8-carboxylate
Basic Information
CAS
1250998-26-5
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
CCOC(=O)C1=C2N=C(C=CN2C=N1)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)7-8-12-6(10)3-4-13(8)5-11-7/h3-5H,2H2,1H3
InChIKey
CMGUFWHUAWJDRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.95
TPSA
56.49
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
2.6
Consensus LogP
1.85
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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