CAS RN: 36646-13-6
2-benzyl-5-(chloromethyl)-1,3,4-oxadiazole
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250801 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251012 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250830 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251218 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260509 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS36646-13-6
- Purity/Analytical Methods: >99.0%
36646-13-6 / 2-benzyl-5-(chloromethyl)-1,3,4-oxadiazole
Basic Information
CAS
36646-13-6
Multi CAS
No
Molecular Formula
C10H9CLN2O
Molecular Weight
208.640000
Exact Mass
208.040341
InChI
InChI=1S/C10H9ClN2O/c11-7-10-13-12-9(14-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
DVUSDXWUQFEAQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
53.1
TPSA
38.92
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.29
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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