![CAS 175348-11-5 Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-ethyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175348-11-5.gif)
CAS RN: 175348-11-5
Isoxazolo[5,4-d]pyrimidin-4(5H)-one, 3-ethyl- (9CI)
- Product code: SSC-076959
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 |
175348-11-5 / 3-ethyl-5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
Basic Information
CAS
175348-11-5
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
SMILES
CCC1=NOC2=C1C(=O)NC=N2
InChI
InChI=1S/C7H7N3O2/c1-2-4-5-6(11)8-3-9-7(5)12-10-4/h3H,2H2,1H3,(H,8,9,11)
InChIKey
OYTFMPFPHMVVDP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.8
TPSA
71.78
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
0.3
Consensus LogP
0.39
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.39
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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