CAS RN: 877950-01-1
LtaS-IN-1
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.20250729 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS877950-01-1
- Purity/Analytical Methods: >99.0%
877950-01-1 / [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
Basic Information
CAS
877950-01-1
Multi CAS
Yes
Molecular Formula
C24H17N3O5
Molecular Weight
427.400000
Exact Mass
427.116821
InChI
InChI=1S/C24H17N3O5/c28-20(25-24-27-26-23(32-24)16-7-2-1-3-8-16)14-31-21(29)12-17-13-30-19-11-10-15-6-4-5-9-18(15)22(17)19/h1-11,13H,12,14H2,(H,25,27,28)
InChIKey
KNJXREYSQNBQEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
116.75
TPSA
107.46
LogP / Solubility
WLOGP
4.36
MLOGP
3.86
XLogP3
4.1
Consensus LogP
4.11
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.78
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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