![CAS 1934417-19-2 1H-Pyrido[3,4-d][1,3]oxazin-2(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1934417-19-2.gif)
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1934417-19-2 / 1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
Basic Information
CAS
1934417-19-2
Multi CAS
No
Molecular Formula
C7H6N2O2
Molecular Weight
150.130000
Exact Mass
150.042927
SMILES
C1C2=C(C=NC=C2)NC(=O)O1
InChI
InChI=1S/C7H6N2O2/c10-7-9-6-3-8-2-1-5(6)4-11-7/h1-3H,4H2,(H,9,10)
InChIKey
PNCXVKPTMGAGTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.04
TPSA
51.22
LogP / Solubility
WLOGP
1.14
MLOGP
1
Consensus LogP
0.71
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.82
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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