![CAS 1339175-99-3 Imidazo[1,2-a]pyrimidine-3-carboxylic acid, 6-methyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1339175-99-3.gif)
CAS RN: 1339175-99-3
Imidazo[1,2-a]pyrimidine-3-carboxylic acid, 6-methyl-, ethyl ester
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.20260615 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1339175-99-3
- Purity/Analytical Methods: >99.0%
1339175-99-3 / ethyl 6-methylimidazo[1,2-a]pyrimidine-3-carboxylate
Basic Information
CAS
1339175-99-3
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
CCOC(=O)C1=CN=C2N1C=C(C=N2)C
InChI
InChI=1S/C10H11N3O2/c1-3-15-9(14)8-5-12-10-11-4-7(2)6-13(8)10/h4-6H,3H2,1-2H3
InChIKey
MBRSAJBLGZSMHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.68
TPSA
56.49
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
2
Consensus LogP
1.43
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.11
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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