CAS RN: 1355171-27-5
6-Benzoxazolecarboxylic acid, 2-methyl-, 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.20250326 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1355171-27-5
- Purity/Analytical Methods: >99.0%
1355171-27-5 / ethyl 2-methyl-1,3-benzoxazole-6-carboxylate
Basic Information
CAS
1355171-27-5
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(O2)C
InChI
InChI=1S/C11H11NO3/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3
InChIKey
HIHQORHTQYEIST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.7
TPSA
52.33
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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