![CAS 532391-91-6 methyl 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/532391-91-6.gif)
CAS RN: 532391-91-6
methyl 4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250131 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS532391-91-6
- Purity/Analytical Methods: >99.0%
532391-91-6 / methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylate
Basic Information
CAS
532391-91-6
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
InChI
InChI=1S/C11H13NO3/c1-12-5-6-15-10-7-8(11(13)14-2)3-4-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKey
QOSLGUQGRUKVCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
56.55
TPSA
38.77
LogP / Solubility
WLOGP
1.3
MLOGP
1.15
XLogP3
1.6
Consensus LogP
1.35
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.06
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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