![CAS 1105196-92-6 1-(2-aminoethyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1105196-92-6.gif)
CAS RN: 1105196-92-6
1-(2-aminoethyl)-5-(3-fluorobenzyl)-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.20251231 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1105196-92-6
- Purity/Analytical Methods: >99.0%
1105196-92-6 / 1-(2-aminoethyl)-5-[(3-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
1-(2-aminoethyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 1-(2-aminoethyl)-5-[(3-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one | F2135-0832
Basic Information
CAS
1105196-92-6
Multi CAS
No
Molecular Formula
C14H14FN5O
Molecular Weight
287.290000
Exact Mass
287.118238
SMILES
C1=CC(=CC(=C1)F)CN2C=NC3=C(C2=O)C=NN3CCN
InChI
InChI=1S/C14H14FN5O/c15-11-3-1-2-10(6-11)8-19-9-17-13-12(14(19)21)7-18-20(13)5-4-16/h1-3,6-7,9H,4-5,8,16H2
InChIKey
COZRTPUSROLJNW-UHFFFAOYSA-N
Synonyms
1-(2-aminoethyl)-5-(3-fluorobenzyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(2-aminoethyl)-5-[(3-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
F2135-0832
SMSSF-0017459
AKOS005206444
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.34
TPSA
78.73
LogP / Solubility
WLOGP
0.74
MLOGP
0.66
XLogP3
0.1
Consensus LogP
0.5
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.95
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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