![CAS 163719-69-5 3-(4-CHLORO-PHENYL)-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163719-69-5.gif)
CAS RN: 163719-69-5
3-(4-CHLORO-PHENYL)-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251108 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-071103
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 |
163719-69-5 / ethyl 3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
Basic Information
CAS
163719-69-5
Multi CAS
No
Molecular Formula
C11H9ClN2O3
Molecular Weight
252.650000
Exact Mass
252.030170
SMILES
CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey
DNTKXLXLDDGVOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
60.7
TPSA
65.22
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
3
Consensus LogP
2.61
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
ETHYL 3-ISOPROPYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
- CAS RN: 163719-70-8
- Product Code: SSC-071104
-
ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
- CAS RN: 163719-72-0
- Product Code: SSC-071105
-
ETHYL 3-TERT-BUTYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
- CAS RN: 163719-73-1
- Product Code: SSC-071106
-
3-PYRIDIN-2-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 163719-76-4
- Product Code: SSC-071107
-
3-PYRIDIN-4-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 163719-80-0
- Product Code: SSC-071109
-
1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(4-FLUOROPHENYL)-, ETHYL ESTER
- CAS RN: 163719-81-1
- Product Code: SSC-071110
![CAS 163719-76-4 3-PYRIDIN-2-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163719-76-4.gif)
![CAS 163719-80-0 3-PYRIDIN-4-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163719-80-0.gif)
