3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium
TL;DR: 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium (CAS 139263-56-2) is a chemical compound with molecular formula C26H27ClN4O4 and molecular weight 494.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate chloride
Also Known As: 3,6-Dnboha, Acridinium, 3,6-diamino-10-(6-((4-nitrobenzoyl)oxy)hexyl)-, chloride, 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium, 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate;chloride, 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate chloride
| Molecular Formula | C26H27ClN4O4 |
|---|---|
| Molecular Weight | 494.17 g/mol |
| LogP | 1.7745 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.1721 |
| Heavy Atoms | 35 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 139263-56-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-] |
| InChIKey | HRZVMBOCVYEXGJ-UHFFFAOYSA-N |
Product Overview
3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium (CAS 139263-56-2), with molecular formula C26H27ClN4O4 and molecular weight 494.17 g/mol. IUPAC: 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate chloride.
Chemical Property Profile of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium
Property Insights of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium
The XLogP value of 1.7745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium. Following Lipinski's Rule of Five, 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium?
The CAS number of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium is 139263-56-2.
What is the molecular formula of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium?
The molecular formula of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium is C26H27ClN4O4.
What is the molecular weight of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium?
The molecular weight of 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium is 494.17 g/mol.
Where can I buy 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium?
You can request a quote for 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diamino-10-(6-(4-nitrobenzoyloxy)hexyl)acridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.