CAS RN: 53733-96-3
Z-SAR-OSU
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.20250404 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53733-96-3
- Purity/Analytical Methods: >99.0%
53733-96-3 / (2,5-dioxopyrrolidin-1-yl) 2-[methyl(phenylmethoxycarbonyl)amino]acetate
Basic Information
CAS
53733-96-3
Multi CAS
No
Molecular Formula
C15H16N2O6
Molecular Weight
320.300000
Exact Mass
320.100836
InChI
InChI=1S/C15H16N2O6/c1-16(15(21)22-10-11-5-3-2-4-6-11)9-14(20)23-17-12(18)7-8-13(17)19/h2-6H,7-10H2,1H3
InChIKey
GUHSSKCYLZIGBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
76.44
TPSA
93.22
LogP / Solubility
WLOGP
0.86
MLOGP
0.77
XLogP3
0.7
Consensus LogP
0.78
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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