![CAS 86477-10-3 4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86477-10-3.gif)
CAS RN: 86477-10-3
4H-Pyrrolo [1,2-C][1,2,3] oxadiazol -7-ium, 5,6-Dihydro -3-Hydroxy -, inner Salt
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS86477-10-3
- Purity/Analytical Methods: >99.0%
86477-10-3 / ethyl 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxylate
Basic Information
CAS
86477-10-3
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-6-10-11-5-3-4-8(7)11/h6H,2-5H2,1H3
InChIKey
ZWHDQPNZDVSPGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.5
TPSA
44.12
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.9
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.11
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 86487-53-8 5H-Thiazolo[3,2-a]pyrimidin-5-one, 2,3-dihydro-6-(2-hydroxyethyl)-7-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86487-53-8.gif)
