![CAS 177268-36-9 2,5,6-Trichlorobenzo[d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/177268-36-9.gif)
CAS RN: 177268-36-9
2,5,6-Trichlorobenzo[d]oxazole
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.20250516 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS177268-36-9
- Purity/Analytical Methods: >99.0%
177268-36-9 / 2,5,6-trichloro-1,3-benzoxazole
Basic Information
CAS
177268-36-9
Multi CAS
No
Molecular Formula
C7H2Cl3NO
Molecular Weight
222.500000
Exact Mass
220.920197
SMILES
C1=C2C(=CC(=C1Cl)Cl)OC(=N2)Cl
InChI
InChI=1S/C7H2Cl3NO/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H
InChIKey
GJLGHNBLGXOPGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
49.04
TPSA
26.03
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
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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