CAS RN: 1221792-76-2
Methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025165
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: ≥95%
- Inventory rows with stock: 4
- 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.
1221792-76-2 / methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate
Basic Information
CAS
1221792-76-2
Multi CAS
No
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
SMILES
CC1=NC2=CC(=CC(=C2O1)C(=O)OC)OC
InChI
InChI=1S/C11H11NO4/c1-6-12-9-5-7(14-2)4-8(10(9)16-6)11(13)15-3/h4-5H,1-3H3
InChIKey
SXNVRFXHFVPWQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
56.64
TPSA
61.56
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
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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