![CAS 1373028-44-4 3-Bromo-4-(5-Chloromethyl-[1,2,4]Oxadiazol-3-Yl)-Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1373028-44-4.gif)
CAS RN: 1373028-44-4
3-Bromo-4-(5-Chloromethyl-[1,2,4]Oxadiazol-3-Yl)-Pyridine
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.20260318 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-046764
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1373028-44-4 / 3-(3-bromo-4-pyridinyl)-5-(chloromethyl)-1,2,4-oxadiazole
Basic Information
CAS
1373028-44-4
Multi CAS
No
Molecular Formula
C8H5BrClN3O
Molecular Weight
274.500000
Exact Mass
272.930450
SMILES
C1=CN=CC(=C1C2=NOC(=N2)CCl)Br
InChI
InChI=1S/C8H5BrClN3O/c9-6-4-11-2-1-5(6)8-12-7(3-10)14-13-8/h1-2,4H,3H2
InChIKey
VGTSKMWMIPYDHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.79
TPSA
51.81
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
1.8
Consensus LogP
2.25
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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