CAS RN: 530121-74-5
2-(2-CHLORO-4,5-DIFLUORO-PHENYL)-BENZOOXAZOL-5-YLAMINE
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.20250616 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS530121-74-5
- Purity/Analytical Methods: >99.0%
530121-74-5 / 2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-amine
Basic Information
CAS
530121-74-5
Multi CAS
No
Molecular Formula
C13H7CLF2N2O
Molecular Weight
280.660000
Exact Mass
280.021497
InChI
InChI=1S/C13H7ClF2N2O/c14-8-5-10(16)9(15)4-7(8)13-18-11-3-6(17)1-2-12(11)19-13/h1-5H,17H2
InChIKey
ZICDUJPQDJXJHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.78
TPSA
52.05
LogP / Solubility
WLOGP
4.01
MLOGP
3.54
XLogP3
3.6
Consensus LogP
3.72
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2-BROMO-4-FLUOROBENZYLPHTHALIMIDE
- CAS RN: 530141-41-4
- Product Code: starshine_CAS530141-41-4
- Purity/Analytical method: >99.0%
-
Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)Methoxy]-
- CAS RN: 530141-72-1
- Product Code: SSC-160207
-
tert-butyl 4-(bromomethyl)-1H-pyrazole-1-carboxylate
- CAS RN: 530144-72-0
- Product Code: SSC-160208
-
![CAS 530141-72-1 Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(2,3-dihydro-3-oxo-1,2-benzisoxazol-6-yl)Methoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/530141-72-1.gif)
