RefChem:1062176
TL;DR: RefChem:1062176 (CAS 53222-27-8) is a chemical compound with molecular formula C33H37I2N7O and molecular weight 801.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
Also Known As: Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-propylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide, 2-Amino-4-((6-amino-1-propylquinolin-4(1H)-ylidene)amino)-N-(4-((1-propylpyridin-1-ium-4-yl)amino)phenyl)benzene-1-carboximidate--hydrogen iodide (1/2), 2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide, RefChem:1062176
| Molecular Formula | C33H37I2N7O |
|---|---|
| Molecular Weight | 801.11 g/mol |
| LogP | 0.1467 |
| Topological Polar Surface Area | 112.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 801.1149 |
| Heavy Atoms | 43 |
| Complexity | 1676.4877 |
Chemical Identifiers
| CAS Number | 53222-27-8 |
|---|---|
| SMILES | CCC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CCC)N)N.[I-].[I-] |
Product Overview
RefChem:1062176 (CAS 53222-27-8), with molecular formula C33H37I2N7O and molecular weight 801.11 g/mol. IUPAC: 2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide.
Chemical Property Profile of RefChem:1062176
Property Insights of RefChem:1062176
The XLogP value of 0.1467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062176. The TPSA of 112.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062176. Following Lipinski's Rule of Five, RefChem:1062176 has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1062176?
The CAS number of RefChem:1062176 is 53222-27-8.
What is the molecular formula of RefChem:1062176?
The molecular formula of RefChem:1062176 is C33H37I2N7O.
What is the molecular weight of RefChem:1062176?
The molecular weight of RefChem:1062176 is 801.11 g/mol.
Where can I buy RefChem:1062176?
You can request a quote for RefChem:1062176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062176?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.