CAS RN: 34648-11-8
5-(TRICHLOROMETHYL)-4,5-DIHYDROISOXAZOL-5-OL
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.20250125 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS34648-11-8
- Purity/Analytical Methods: >99.0%
34648-11-8 / 5-(trichloromethyl)-4H-1,2-oxazol-5-ol
Basic Information
CAS
34648-11-8
Multi CAS
No
Molecular Formula
C4H4CL3NO2
Molecular Weight
204.430000
Exact Mass
202.930761
InChI
InChI=1S/C4H4Cl3NO2/c5-4(6,7)3(9)1-2-8-10-3/h2,9H,1H2
InChIKey
VHZMBXBPSPAPRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.43
TPSA
41.82
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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