![CAS 1173003-60-5 Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1173003-60-5.gif)
CAS RN: 1173003-60-5
Ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
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| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1173003-60-5
- Purity/Analytical Methods: >99.0%
1173003-60-5 / ethyl 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
ETHYL 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-3-CARBOXYLATE | ethyl 5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylate | MFCD16547366
Basic Information
CAS
1173003-60-5
Multi CAS
No
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
SMILES
CCOC(=O)C1=C2N(CCCO2)N=C1
InChI
InChI=1S/C9H12N2O3/c1-2-13-9(12)7-6-10-11-4-3-5-14-8(7)11/h6H,2-5H2,1H3
InChIKey
WDUKEBCPQBJDFQ-UHFFFAOYSA-N
Synonyms
ETHYL 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-3-CARBOXYLATE
ethyl 5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylate
MFCD16547366
F2147-0928
SCHEMBL1208389
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.3
TPSA
53.35
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.8
Consensus LogP
0.79
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.32
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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