![CAS 1158418-66-6 Methyl 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92556328.gif)
CAS RN: 1158418-66-6
Methyl 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158418-66-6
- Purity/Analytical Methods: >99.0%
1158418-66-6 / methyl 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
methyl 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate | MFCD13816226 | pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 2,5,7-trimethyl-, methyl ester
Basic Information
CAS
1158418-66-6
Multi CAS
No
Molecular Formula
C11H13N3O2
Molecular Weight
219.240000
Exact Mass
219.100777
SMILES
CC1=CC(=NC2=C(C(=NN12)C)C(=O)OC)C
InChI
InChI=1S/C11H13N3O2/c1-6-5-7(2)14-10(12-6)9(8(3)13-14)11(15)16-4/h5H,1-4H3
InChIKey
LUXIYYASGSQWJT-UHFFFAOYSA-N
Synonyms
methyl 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
MFCD13816226
pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 2,5,7-trimethyl-, methyl ester
HMS5161E08
ALBB-017286
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
58.54
TPSA
56.49
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.03
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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