![CAS 16263-60-8 5,7-Dichlorobenzo[d]isoxazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16263-60-8.gif)
CAS RN: 16263-60-8
5,7-Dichlorobenzo[d]isoxazol-3-amine
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.20260227 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16263-60-8
- Purity/Analytical Methods: >99.0%
16263-60-8 / 5,7-dichloro-1,2-benzoxazol-3-amine
Basic Information
CAS
16263-60-8
Multi CAS
No
Molecular Formula
C7H4Cl2N2O
Molecular Weight
203.020000
Exact Mass
201.970068
SMILES
C1=C(C=C(C2=C1C(=NO2)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2O/c8-3-1-4-6(5(9)2-3)12-11-7(4)10/h1-2H,(H2,10,11)
InChIKey
UHKAIUSVDOTDNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.44
TPSA
52.05
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.6
Consensus LogP
2.57
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.03
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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