CAS RN: 88283-10-7
5-(Trichloromethyl)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.20251001 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS88283-10-7
- Purity/Analytical Methods: >99.0%
88283-10-7 / 5-(trichloromethyl)-1,2-oxazole
Basic Information
CAS
88283-10-7
Multi CAS
No
Molecular Formula
C4H2CL3NO
Molecular Weight
186.420000
Exact Mass
184.920197
InChI
InChI=1S/C4H2Cl3NO/c5-4(6,7)3-1-2-8-9-3/h1-2H
InChIKey
LJVSHTQXMKTCBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
35.74
TPSA
26.03
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2
Consensus LogP
2.23
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.08
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
1.5
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