CAS RN: 64640-13-7
2-(CHLOROMETHYL)-5-PHENYL-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.20250213 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64640-13-7
- Purity/Analytical Methods: >99.0%
64640-13-7 / 2-(chloromethyl)-5-phenyl-1,3-oxazole
Basic Information
CAS
64640-13-7
Multi CAS
No
Molecular Formula
C10H8CLNO
Molecular Weight
193.630000
Exact Mass
193.029442
InChI
InChI=1S/C10H8ClNO/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
UCLTZKFBJAFGCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.5
TPSA
26.03
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
3.4
Consensus LogP
3.06
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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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