CAS RN: 129666-48-4
Z-3-ABZ-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.20260102 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS129666-48-4
- Purity/Analytical Methods: >99.0%
129666-48-4 / (2,5-dioxopyrrolidin-1-yl) 3-(phenylmethoxycarbonylamino)benzoate
Basic Information
CAS
129666-48-4
Multi CAS
No
Molecular Formula
C19H16N2O6
Molecular Weight
368.300000
Exact Mass
368.100836
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=CC(=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16N2O6/c22-16-9-10-17(23)21(16)27-18(24)14-7-4-8-15(11-14)20-19(25)26-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,20,25)
InChIKey
GTEFLNWIEFSKDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.19
TPSA
102.01
LogP / Solubility
WLOGP
2.66
MLOGP
2.36
XLogP3
2
Consensus LogP
2.34
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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