![CAS 2253744-54-4 1,3,4-Oxadiazole, 2-[[(2,6-dichlorophenyl)methyl]thio]-5-(1H-pyrrol-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2253744-54-4.gif)
CAS RN: 2253744-54-4
1,3,4-Oxadiazole, 2-[[(2,6-dichlorophenyl)methyl]thio]-5-(1H-pyrrol-2-yl)-
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260623 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260106 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251006 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251224 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250314 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250528 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-110235
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2253744-54-4 / 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
Basic Information
CAS
2253744-54-4
Multi CAS
No
Molecular Formula
C13H9Cl2N3OS
Molecular Weight
326.200000
Exact Mass
324.984339
SMILES
C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=CN3)Cl
InChI
InChI=1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2
InChIKey
MNPOBXLPCWFONX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.11
TPSA
54.71
LogP / Solubility
WLOGP
4.66
MLOGP
4.12
XLogP3
3.8
Consensus LogP
4.19
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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