![CAS 2540595-72-8 7,9-Bis(2,6-diethylphenyl)-7H-acenaphtho[1,2-d]imidazol-9-ium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2540595-72-8.gif)
CAS RN: 2540595-72-8
7,9-Bis(2,6-diethylphenyl)-7H-acenaphtho[1,2-d]imidazol-9-ium chloride
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260122 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251016 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250709 | 10g | Out of stock | Inquiry | ||
| Batchno.20260411 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250209 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250626 | 5g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS2540595-72-8
- Purity/Analytical Methods: >99.0%
2540595-72-8 / 7,9-bis(2,6-diethylphenyl)acenaphthyleno[1,2-d]imidazol-9-ium chloride
Basic Information
CAS
2540595-72-8
Multi CAS
No
Molecular Formula
C33H33ClN2
Molecular Weight
493.100000
Exact Mass
492.233227
SMILES
CCC1=C(C(=CC=C1)CC)N2C=[N+](C3=C2C4=CC=CC5=C4C3=CC=C5)C6=C(C=CC=C6CC)CC.[Cl-]
InChI
InChI=1S/C33H33N2.ClH/c1-5-22-13-9-14-23(6-2)30(22)34-21-35(31-24(7-3)15-10-16-25(31)8-4)33-28-20-12-18-26-17-11-19-27(29(26)28)32(33)34;/h9-21H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKey
RUVJSNIXIXSVEY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
27
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
146.75
TPSA
8.81
LogP / Solubility
WLOGP
4.81
MLOGP
4.27
XLogP3
4.81
Consensus LogP
4.63
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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