![CAS 22244-22-0 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22244-22-0.gif)
CAS RN: 22244-22-0
3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-2-CARBOXYLIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251013 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-107086
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 |
22244-22-0 / ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Basic Information
CAS
22244-22-0
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CCOC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3
InChIKey
FGYXHLIMQKWPIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.98
TPSA
47.56
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
2
Consensus LogP
1.56
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
5-trifluoroMethyl-pyridine-2-carboxylic acid aMide
- CAS RN: 22245-86-9
- Product Code: starshine_CAS22245-86-9
- Purity/Analytical method: >99.0%
-
-
1,3,4,5-TETRAHYDRO-7-METHOXY-2H-1-BENZAZEPIN-2-ONE
- CAS RN: 22245-89-2
- Product Code: SSC-107092
-
7-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
- CAS RN: 22245-92-7
- Product Code: SSC-107093
