CAS RN: 54679-74-2
4-(CHLOROMETHYL)-2-THIEN-2-YL-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.20260225 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54679-74-2
- Purity/Analytical Methods: >99.0%
54679-74-2 / 4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
Basic Information
CAS
54679-74-2
Multi CAS
No
Molecular Formula
C8H6CLNOS
Molecular Weight
199.660000
Exact Mass
198.985863
InChI
InChI=1S/C8H6ClNOS/c9-4-6-5-11-8(10-6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKey
UOMYYMAMKHZVSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.37
TPSA
26.03
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
2.1
Consensus LogP
2.67
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.71
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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