![CAS 1351961-59-5 7-[(4-Methoxyphenyl)Methyl]-5-Methyl-2H-pyrazolo[3,4-d]pyriMidine-4,6(5H,7H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1351961-59-5.gif)
CAS RN: 1351961-59-5
7-[(4-Methoxyphenyl)Methyl]-5-Methyl-2H-pyrazolo[3,4-d]pyriMidine-4,6(5H,7H)-dione
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.20260303 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-043145
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1351961-59-5 / 7-[(4-methoxyphenyl)methyl]-5-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
Basic Information
CAS
1351961-59-5
Multi CAS
No
Molecular Formula
C14H14N4O3
Molecular Weight
286.290000
Exact Mass
286.106590
SMILES
CN1C(=O)C2=C(NN=C2)N(C1=O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C14H14N4O3/c1-17-13(19)11-7-15-16-12(11)18(14(17)20)8-9-3-5-10(21-2)6-4-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
JVYBHXSIAJRNGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.69
TPSA
81.91
LogP / Solubility
WLOGP
0.48
MLOGP
0.43
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13
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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