![CAS 718621-99-9 5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxylicacid,6,7-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/718621-99-9.gif)
CAS RN: 718621-99-9
5H-Pyrazolo[5,1-b][1,3]oxazine-2-carboxylicacid,6,7-dihydro-(9CI)
- Product code: SSC-181403
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 |
718621-99-9 / 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
Basic Information
CAS
718621-99-9
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c10-7(11)5-4-6-9(8-5)2-1-3-12-6/h4H,1-3H2,(H,10,11)
InChIKey
YFZDKAJETNSREY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.3
TPSA
64.35
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.49
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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