![CAS 97479-79-3 Methyl 2-(benzo[d]oxazol-5-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97479-79-3.gif)
CAS RN: 97479-79-3
Methyl 2-(benzo[d]oxazol-5-yl)acetate
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.20250621 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS97479-79-3
- Purity/Analytical Methods: >99.0%
97479-79-3 / methyl 2-(1,3-benzoxazol-5-yl)acetate
Basic Information
CAS
97479-79-3
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
InChI
InChI=1S/C10H9NO3/c1-13-10(12)5-7-2-3-9-8(4-7)11-6-14-9/h2-4,6H,5H2,1H3
InChIKey
FWUQPSOUPSUZAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.73
TPSA
52.33
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.6
Consensus LogP
1.5
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-ACETONITRILPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER
- CAS RN: 97483-79-9
- Product Code: SSC-212302
-
1-benzyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
- CAS RN: 97484-73-6
- Product Code: SSC-212303
-
-
1-(1-BENZOTHIOPHEN-2-YL)-2-BROMO-1-ETHANONE
- CAS RN: 97511-06-3
- Product Code: starshine_CAS97511-06-3
- Purity/Analytical method: >99.0%
-
S-Phenylsulfonylcysteine
- CAS RN: 97512-83-9
- Product Code: starshine_CAS97512-83-9
- Purity/Analytical method: >99.0%
![CAS 97484-73-6 1-benzyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97484-73-6.gif)
![CAS 97508-57-1 1H-Naphth[2,3-d]imidazole,2-ethyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/97508-57-1.gif)
