![CAS 5399-93-9 1H-Pyrazolo[3,4-d]pyrimidine, 4-methoxy- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5399-93-9.gif)
CAS RN: 5399-93-9
1H-Pyrazolo[3,4-d]pyrimidine, 4-methoxy- (9CI)
- Product code: SSC-161460
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 | Hong Kong | Inquiry |
5399-93-9 / 4-methoxy-1H-pyrazolo[5,4-d]pyrimidine
Basic Information
CAS
5399-93-9
Multi CAS
Yes
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
InChI
InChI=1S/C6H6N4O/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey
HRYFDIMIODFAJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.24
TPSA
63.69
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
