![CAS 40769-81-1 1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40769-81-1.gif)
CAS RN: 40769-81-1
1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
- Product code: SSC-149110
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
40769-81-1 / 1,4-dihydropyrazolo[4,5-d]pyrimidine-5,7-dione
Basic Information
CAS
40769-81-1
Multi CAS
Yes
Molecular Formula
C5H4N4O2
Molecular Weight
152.110000
Exact Mass
152.033425
InChI
InChI=1S/C5H4N4O2/c10-4-3-2(1-6-9-3)7-5(11)8-4/h1H,(H,6,9)(H2,7,8,10,11)
InChIKey
HUUOMBLAKHBLFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.34
TPSA
94.4
LogP / Solubility
WLOGP
-1.06
MLOGP
-0.94
XLogP3
-0.9
Consensus LogP
-0.97
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 40775-75-5
- Product Code: starshine_CAS40775-75-5
- Purity/Analytical method: >99.0%
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2-AMINO-5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL
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- Product Code: starshine_CAS40775-79-9
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