![CAS 865285-29-6 4-Chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/865285-29-6.gif)
CAS RN: 865285-29-6
4-Chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-benzamide
- Product code: SSC-195675
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
865285-29-6 / 4-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
Basic Information
CAS
865285-29-6
Multi CAS
Yes
Molecular Formula
C15H9CLFN3O2
Molecular Weight
317.700000
Exact Mass
317.036732
InChI
InChI=1S/C15H9ClFN3O2/c16-11-5-1-9(2-6-11)13(21)18-15-20-19-14(22-15)10-3-7-12(17)8-4-10/h1-8H,(H,18,20,21)
InChIKey
ZIICPNCCHIUJSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.1
TPSA
68.02
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.3
Consensus LogP
3.47
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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