CAS RN: 1446332-73-5
Ethyl (4-chloro-1,3-benzoxazol-2-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.20250618 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1446332-73-5
- Purity/Analytical Methods: >99.0%
1446332-73-5 / ethyl 2-(4-chloro-1,3-benzoxazol-2-yl)acetate
Basic Information
CAS
1446332-73-5
Multi CAS
No
Molecular Formula
C11H10ClNO3
Molecular Weight
239.650000
Exact Mass
239.034921
SMILES
CCOC(=O)CC1=NC2=C(O1)C=CC=C2Cl
InChI
InChI=1S/C11H10ClNO3/c1-2-15-10(14)6-9-13-11-7(12)4-3-5-8(11)16-9/h3-5H,2,6H2,1H3
InChIKey
WEGKCVYCZQSJLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.36
TPSA
52.33
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-2.35
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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