![CAS 21093-51-6 HEXAMETHYLENE-BIS-[DIMETHYL-(3-PHTHALIMIDOPROPYL)AMMONIUM]DIBROMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21093-51-6.gif)
CAS RN: 21093-51-6
HEXAMETHYLENE-BIS-[DIMETHYL-(3-PHTHALIMIDOPROPYL)AMMONIUM]DIBROMIDE
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.20250913 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21093-51-6
- Purity/Analytical Methods: >99.0%
21093-51-6 / 3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Basic Information
CAS
21093-51-6
Multi CAS
No
Molecular Formula
C32H44Br2N4O4
Molecular Weight
708.500000
Exact Mass
708.170880
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]
InChI
InChI=1S/C32H44N4O4.2BrH/c1-35(2,23-13-19-33-29(37)25-15-7-8-16-26(25)30(33)38)21-11-5-6-12-22-36(3,4)24-14-20-34-31(39)27-17-9-10-18-28(27)32(34)40;;/h7-10,15-18H,5-6,11-14,19-24H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
DZRJZDQAGMZGGA-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
155
TPSA
74.76
LogP / Solubility
WLOGP
-1.92
MLOGP
-1.63
XLogP3
-1.92
Consensus LogP
-1.82
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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