![CAS 937681-62-4 6-tert-Butyl-3,4-dihydro-2H-benzo[1,4]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937681-62-4.gif)
CAS RN: 937681-62-4
6-tert-Butyl-3,4-dihydro-2H-benzo[1,4]oxazine
- Product code: SSC-208257
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: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥98%
- Inventory rows with stock: 3
- 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.
937681-62-4 / 6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
Basic Information
CAS
937681-62-4
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c1-12(2,3)9-4-5-11-10(8-9)13-6-7-14-11/h4-5,8,13H,6-7H2,1-3H3
InChIKey
LUSRIPQNKKAVEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.13
TPSA
21.26
LogP / Solubility
WLOGP
2.79
MLOGP
2.45
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-1.91
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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