RefChem:317174
TL;DR: RefChem:317174 (CAS 68772-44-1) is a chemical compound with molecular formula C33H30Cl2N6O and molecular weight 596.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(3-amino-10-methylacridin-10-ium-9-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide dichloride
Also Known As: Acridinium, 3-amino-10-methyl-9-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, dichloride, N-[4-[(3-amino-10-methylacridin-10-ium-9-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide dichloride, ACRIDINIUM, 3-AMINO-10-METHYL-9-(p-(p-((1-METHYLPYRIDINIUM-4-YL)AMINO)BENZAMIDO), RefChem:317174
| Molecular Formula | C33H30Cl2N6O |
|---|---|
| Molecular Weight | 596.19 g/mol |
| LogP | -0.03 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.1858 |
| Heavy Atoms | 42 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 68772-44-1 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=C5C=CC(=CC5=[N+](C6=CC=CC=C64)C)N.[Cl-].[Cl-] |
| InChIKey | QITZRGDTIIRSHH-UHFFFAOYSA-N |
Product Overview
RefChem:317174 (CAS 68772-44-1), with molecular formula C33H30Cl2N6O and molecular weight 596.19 g/mol. IUPAC: N-[4-[(3-amino-10-methylacridin-10-ium-9-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide dichloride.
Chemical Property Profile of RefChem:317174
Property Insights of RefChem:317174
The XLogP value of -0.03 indicates that RefChem:317174 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:317174. Following Lipinski's Rule of Five, RefChem:317174 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:317174?
The CAS number of RefChem:317174 is 68772-44-1.
What is the molecular formula of RefChem:317174?
The molecular formula of RefChem:317174 is C33H30Cl2N6O.
What is the molecular weight of RefChem:317174?
The molecular weight of RefChem:317174 is 596.19 g/mol.
Where can I buy RefChem:317174?
You can request a quote for RefChem:317174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:317174?
Yes, KEHONG BIO provides custom synthesis services for RefChem:317174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.