CAS RN: 16624-64-9
Z-TRP-ONP
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.20250215 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16624-64-9
- Purity/Analytical Methods: >99.0%
16624-64-9 / (4-nitrophenyl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
16624-64-9
Multi CAS
No
Molecular Formula
C25H21N3O6
Molecular Weight
459.400000
Exact Mass
459.143035
SMILES
C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H21N3O6/c29-24(34-20-12-10-19(11-13-20)28(31)32)23(14-18-15-26-22-9-5-4-8-21(18)22)27-25(30)33-16-17-6-2-1-3-7-17/h1-13,15,23,26H,14,16H2,(H,27,30)/t23-/m0/s1
InChIKey
MGXAOGDOJXOYRA-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
124.28
TPSA
123.56
LogP / Solubility
WLOGP
4.52
MLOGP
4.01
XLogP3
4.7
Consensus LogP
4.41
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
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)
-2.31
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
3.5
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