![CAS 669050-73-1 3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-7-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/669050-73-1.gif)
CAS RN: 669050-73-1
3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-7-CARBALDEHYDE
- Product code: SSC-176560
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 | Shanghai | Inquiry |
669050-73-1 / 3,4-dihydro-2H-1,4-benzoxazine-7-carbaldehyde
Basic Information
CAS
669050-73-1
Multi CAS
No
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
InChI
InChI=1S/C9H9NO2/c11-6-7-1-2-8-9(5-7)12-4-3-10-8/h1-2,5-6,10H,3-4H2
InChIKey
DJANLTLBMCHTCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.81
TPSA
38.33
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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