![CAS 1030017-70-9 IMidazo[1,2-a]pyriMidine-7-carboxylic acid, 5-Methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1030017-70-9.gif)
CAS RN: 1030017-70-9
IMidazo[1,2-a]pyriMidine-7-carboxylic acid, 5-Methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1030017-70-9
- Purity/Analytical Methods: >99.0%
1030017-70-9 / 5-methylimidazo[1,2-a]pyrimidine-7-carboxylic acid
5-Methylimidazo[1,2-a]pyrimidine-7-carboxylic acid | 5-methyl-imidazo[1,2-a]pyrimidine-7-carboxylic acid | MFCD20660013
Basic Information
CAS
1030017-70-9
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
CC1=CC(=NC2=NC=CN12)C(=O)O
InChI
InChI=1S/C8H7N3O2/c1-5-4-6(7(12)13)10-8-9-2-3-11(5)8/h2-4H,1H3,(H,12,13)
InChIKey
KUXRTFGCKBEVDE-UHFFFAOYSA-N
Synonyms
5-Methylimidazo[1,2-a]pyrimidine-7-carboxylic acid
5-methyl-imidazo[1,2-a]pyrimidine-7-carboxylic acid
MFCD20660013
Imidazo[1,2-a]pyrimidine-7-carboxylic acid, 5-methyl-
AKOS027339734
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.68
TPSA
67.49
LogP / Solubility
WLOGP
0.74
MLOGP
0.64
XLogP3
1.4
Consensus LogP
0.93
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.28
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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