![CAS 23269-92-3 5-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23269-92-3.gif)
CAS RN: 23269-92-3
5-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE-2-THIOL
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.20250612 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-112956
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 |
23269-92-3 / 5-(3,4,5-trimethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Basic Information
CAS
23269-92-3
Multi CAS
No
Molecular Formula
C11H12N2O4S
Molecular Weight
268.290000
Exact Mass
268.051778
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)O2
InChI
InChI=1S/C11H12N2O4S/c1-14-7-4-6(10-12-13-11(18)17-10)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H,13,18)
InChIKey
IYUWDYZWKDQESI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.78
TPSA
69.51
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.63
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
