![CAS 268734-42-5 6-Phenylbenzo[d]isoxazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/268734-42-5.gif)
CAS RN: 268734-42-5
6-Phenylbenzo[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.20250506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS268734-42-5
- Purity/Analytical Methods: >99.0%
268734-42-5 / 6-phenyl-1,2-benzoxazol-3-amine
Basic Information
CAS
268734-42-5
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NO3)N
InChI
InChI=1S/C13H10N2O/c14-13-11-7-6-10(8-12(11)16-15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKey
IIDSHOVHFQFLOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.86
TPSA
52.05
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
3
Consensus LogP
2.93
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
BENZONITRILE, 4-[(5-BROMO-4,6-DICHLORO-2-PYRIMIDINYL)AMINO]-
- CAS RN: 269055-75-6
- Product Code: starshine_CAS269055-75-6
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 269055-75-6 BENZONITRILE, 4-[(5-BROMO-4,6-DICHLORO-2-PYRIMIDINYL)AMINO]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/269055-75-6.gif)
