![CAS 215726-51-5 N,N’-bis[2-(4-chloro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215726-51-5.gif)
CAS RN: 215726-51-5
N,N’-bis[2-(4-chloro-phenyl)-ethyl]-3,4,9,10-perylene tetradicarboxiMide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260203 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250305 | 1g | In stock | Shenzhen, Tianjin | Inquiry | |
| Batchno.20251007 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS215726-51-5
- Purity/Analytical Methods: >99.0%
215726-51-5 / 7,18-bis[2-(4-chlorophenyl)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Basic Information
CAS
215726-51-5
Multi CAS
No
Molecular Formula
C40H24Cl2N2O4
Molecular Weight
667.500000
Exact Mass
666.111313
SMILES
C1=CC(=CC=C1CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCC9=CC=C(C=C9)Cl)C2=O)Cl
InChI
InChI=1S/C40H24Cl2N2O4/c41-23-5-1-21(2-6-23)17-19-43-37(45)29-13-9-25-27-11-15-31-36-32(40(48)44(39(31)47)20-18-22-3-7-24(42)8-4-22)16-12-28(34(27)36)26-10-14-30(38(43)46)35(29)33(25)26/h1-16H,17-20H2
InChIKey
QSDATNMVYLQQKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
32
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
188.7
TPSA
74.76
LogP / Solubility
WLOGP
8.72
MLOGP
7.73
XLogP3
8.9
Consensus LogP
8.45
Log S (ESOL)
-9.57
Class (ESOL)
Insoluble
Log S (Ali)
-11.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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