CAS RN: 51726-08-0
5-CHLORO-3-(4-METHYLPHENYL)ISOXAZOLE
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.20260609 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51726-08-0
- Purity/Analytical Methods: >99.0%
51726-08-0 / 5-chloro-3-(4-methylphenyl)-1,2-oxazole
Basic Information
CAS
51726-08-0
Multi CAS
No
Molecular Formula
C10H8CLNO
Molecular Weight
193.630000
Exact Mass
193.029442
InChI
InChI=1S/C10H8ClNO/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3
InChIKey
PHZSGWWQGOWZRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.69
TPSA
26.03
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.4
Consensus LogP
3.2
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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