![CAS 136178-56-8 Ethyl 7-hydroxypyrazolo[1,5-a]pyriMidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/136178-56-8.gif)
CAS RN: 136178-56-8
Ethyl 7-hydroxypyrazolo[1,5-a]pyriMidine-3-carboxylate
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.20260429 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-045082
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 |
136178-56-8 / ethyl 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
Basic Information
CAS
136178-56-8
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
CCOC(=O)C1=CNN2C1=NC=CC2=O
InChI
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-11-12-7(13)3-4-10-8(6)12/h3-5,11H,2H2,1H3
InChIKey
ZGCDOKYAYRHKOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.77
TPSA
76.46
LogP / Solubility
WLOGP
0.2
MLOGP
0.18
XLogP3
0.1
Consensus LogP
0.16
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
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)
-3.84
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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