AAJ5J2BN2T
TL;DR: AAJ5J2BN2T (CAS 84030-03-5) is a chemical compound with molecular formula C26H29N3O7S and molecular weight 527.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]phenoxy]ethyl-trimethylazanium;methyl sulfate
Also Known As: EINECS 281-773-3, EINECS 281-771-2, (2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulphate, 2-[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]phenoxy]ethyl-trimethylazanium,methyl sulfate, (2-(4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)phenoxy)ethyl)trimethylammonium methyl sulfate
| Molecular Formula | C26H29N3O7S |
|---|---|
| Molecular Weight | 527.17 g/mol |
| LogP | 2.9658 |
| Topological Polar Surface Area | 147.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.1726 |
| Heavy Atoms | 37 |
| Complexity | 1413.0731 |
Chemical Identifiers
| CAS Number | 84030-03-5 |
|---|---|
| SMILES | C[N+](C)(C)CCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O.COS(=O)(=O)[O-] |
Product Overview
AAJ5J2BN2T (CAS 84030-03-5), with molecular formula C26H29N3O7S and molecular weight 527.17 g/mol. IUPAC: 2-[4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]phenoxy]ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of AAJ5J2BN2T
Property Insights of AAJ5J2BN2T
The XLogP value of 2.9658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AAJ5J2BN2T. The TPSA of 147.85 Ų indicates high polarity, suggesting AAJ5J2BN2T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AAJ5J2BN2T has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AAJ5J2BN2T?
The CAS number of AAJ5J2BN2T is 84030-03-5.
What is the molecular formula of AAJ5J2BN2T?
The molecular formula of AAJ5J2BN2T is C26H29N3O7S.
What is the molecular weight of AAJ5J2BN2T?
The molecular weight of AAJ5J2BN2T is 527.17 g/mol.
Where can I buy AAJ5J2BN2T?
You can request a quote for AAJ5J2BN2T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AAJ5J2BN2T?
Yes, KEHONG BIO provides custom synthesis services for AAJ5J2BN2T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.