CAS RN: 146118-22-1
Z-PHG-OSU
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250226 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS146118-22-1
- Purity/Analytical Methods: >99.0%
146118-22-1 / (2,5-dioxopyrrolidin-1-yl) (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Basic Information
CAS
146118-22-1
Multi CAS
No
Molecular Formula
C20H18N2O6
Molecular Weight
382.400000
Exact Mass
382.116486
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H18N2O6/c23-16-11-12-17(24)22(16)28-19(25)18(15-9-5-2-6-10-15)21-20(26)27-13-14-7-3-1-4-8-14/h1-10,18H,11-13H2,(H,21,26)/t18-/m0/s1
InChIKey
MZJSWDYNUOPUKB-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
96.12
TPSA
102.01
LogP / Solubility
WLOGP
2.26
MLOGP
2.01
XLogP3
2.2
Consensus LogP
2.16
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
No
Log Kp (skin permeation)
-3.45
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
3
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