CAS RN: 65205-53-0
Isoxazole, 5-(4-chlorophenyl)-3-(4-Methylphenyl)-
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.20250723 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65205-53-0
- Purity/Analytical Methods: >99.0%
65205-53-0 / 5-(4-chlorophenyl)-3-(4-methylphenyl)-1,2-oxazole
Basic Information
CAS
65205-53-0
Multi CAS
No
Molecular Formula
C16H12CLNO
Molecular Weight
269.720000
Exact Mass
269.060742
InChI
InChI=1S/C16H12ClNO/c1-11-2-4-12(5-3-11)15-10-16(19-18-15)13-6-8-14(17)9-7-13/h2-10H,1H3
InChIKey
RFQHMFDWWJPZIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.12
TPSA
26.03
LogP / Solubility
WLOGP
4.97
MLOGP
4.38
XLogP3
4.7
Consensus LogP
4.68
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
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)
-0.84
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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