CAS RN: 838816-57-2
Methyl 3-(2-((5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260113 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250823 | 1g | Out of stock | Inquiry | ||
| Batchno.20250119 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260102 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250901 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260222 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS838816-57-2
- Purity/Analytical Methods: >99.0%
838816-57-2 / methyl 3-[[2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Basic Information
CAS
838816-57-2
Multi CAS
Yes
Molecular Formula
C20H19N3O6S
Molecular Weight
429.400000
Exact Mass
429.099457
InChI
InChI=1S/C20H19N3O6S/c1-26-15-8-13(9-16(10-15)27-2)18-22-23-20(29-18)30-11-17(24)21-14-6-4-5-12(7-14)19(25)28-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKey
MCQJCSNFOKHYLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.2
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
1
Molar refractivity
109.97
TPSA
112.78
LogP / Solubility
WLOGP
3.27
MLOGP
2.91
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
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
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
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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