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CAS RN: 1105197-08-7
1-(2-aminoethyl)-5-(3-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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.20260211 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1105197-08-7
- Purity/Analytical Methods: >99.0%
1105197-08-7 / 1-(2-aminoethyl)-5-[(3-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
1-(2-aminoethyl)-5-(3-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 1-(2-aminoethyl)-5-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one | 1-(2-AMINOETHYL)-5-(3-METHYLBENZYL)-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMID+
Basic Information
CAS
1105197-08-7
Multi CAS
No
Molecular Formula
C15H17N5O
Molecular Weight
283.330000
Exact Mass
283.143310
SMILES
CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C=NN3CCN
InChI
InChI=1S/C15H17N5O/c1-11-3-2-4-12(7-11)9-19-10-17-14-13(15(19)21)8-18-20(14)6-5-16/h2-4,7-8,10H,5-6,9,16H2,1H3
InChIKey
OPPQXEHKFWXVQI-UHFFFAOYSA-N
Synonyms
1-(2-aminoethyl)-5-(3-methylbenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-aminoethyl)-5-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
1-(2-AMINOETHYL)-5-(3-METHYLBENZYL)-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMID+
1-(2-aminoethyl)-5-[(3-methylphenyl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
AKOS005206442
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
81.12
TPSA
78.73
LogP / Solubility
WLOGP
0.91
MLOGP
0.81
XLogP3
0.4
Consensus LogP
0.71
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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