CAS RN: 521266-92-2
4-(CHLOROMETHYL)-5-METHYL-2-(3-METHYLPHENYL)-1,3-OXAZOLE
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.20260413 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS521266-92-2
- Purity/Analytical Methods: >99.0%
521266-92-2 / 4-(chloromethyl)-5-methyl-2-(3-methylphenyl)-1,3-oxazole
Basic Information
CAS
521266-92-2
Multi CAS
No
Molecular Formula
C12H12CLNO
Molecular Weight
221.680000
Exact Mass
221.060742
InChI
InChI=1S/C12H12ClNO/c1-8-4-3-5-10(6-8)12-14-11(7-13)9(2)15-12/h3-6H,7H2,1-2H3
InChIKey
CZFJTOSWONKWDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.97
TPSA
26.03
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3.2
Consensus LogP
3.39
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.45
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
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