![CAS 719310-31-3 tert-butyl 6-broMo-2,3-dihydrobenzo[b][1,4]oxazine-4-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/719310-31-3.gif)
CAS RN: 719310-31-3
tert-butyl 6-broMo-2,3-dihydrobenzo[b][1,4]oxazine-4-carboxylate
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.20250206 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-181466
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
719310-31-3 / tert-butyl 6-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
Basic Information
CAS
719310-31-3
Multi CAS
No
Molecular Formula
BC13H16O3Rn
Molecular Weight
314.170000
Exact Mass
313.031360
InChI
InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7H2,1-3H3
InChIKey
JOFHRALTEXLLIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.22
TPSA
38.77
LogP / Solubility
WLOGP
3.58
MLOGP
3.17
XLogP3
3.1
Consensus LogP
3.28
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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