![CAS 90349-67-0 ETHYL 5,7-DIHYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90349-67-0.gif)
CAS RN: 90349-67-0
ETHYL 5,7-DIHYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
- Product code: SSC-202825
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 | Beijing | Inquiry |
90349-67-0 / ethyl 7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic Information
CAS
90349-67-0
Multi CAS
Yes
Molecular Formula
C9H9N3O4
Molecular Weight
223.190000
Exact Mass
223.059306
InChI
InChI=1S/C9H9N3O4/c1-2-16-9(15)5-4-10-12-7(14)3-6(13)11-8(5)12/h3-4,14H,2H2,1H3,(H,11,13)
InChIKey
QSZVAHIUOTZVIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
53.43
TPSA
96.69
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.08
XLogP3
-0.2
Consensus LogP
-0.13
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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