RefChem:378815
TL;DR: RefChem:378815 (CAS 53222-75-6) is a chemical compound with molecular formula C26H29Br2N9O and molecular weight 641.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide;bromide;hydrobromide
Also Known As: Quinolinium, 6-amino-4-(3-amino-p-((p-acetylphenyl)carbamoyl)anilino)-1-methyl-, p-amidinohydrazone, bromide, hydrobromide, 6-Amino-4-[3-amino-4-({(1Z,4Z)-4-[1-(2-carbamimidoylhydrazin-1-yl)ethylidene]cyclohexa-2,5-dien-1-ylidene}carbamoyl)anilino]-1-methylquinolin-1-ium bromide--hydrogen bromide (1/1/1), 6-Amino-4-[3-amino-4-({4-[1-(2-carbamimidoylhydrazinyl)ethylidene]cyclohexa-2,5-dien-1-ylidene}carbamoyl)anilino]-1-methylquinolin-1-ium bromide--hydrogen bromide (1/1/1), RefChem:378815
| Molecular Formula | C26H29Br2N9O |
|---|---|
| Molecular Weight | 641.09 g/mol |
| LogP | 0.4039 |
| Topological Polar Surface Area | 173.81 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 641.0862 |
| Heavy Atoms | 38 |
| Complexity | 1515.6904 |
Chemical Identifiers
| CAS Number | 53222-75-6 |
|---|---|
| SMILES | C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)NC3=C4C=C(C=CC4=[N+](C=C3)C)N)N.Br.[Br-] |
Product Overview
RefChem:378815 (CAS 53222-75-6), with molecular formula C26H29Br2N9O and molecular weight 641.09 g/mol. IUPAC: 2-amino-4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide;bromide;hydrobromide.
Chemical Property Profile of RefChem:378815
Property Insights of RefChem:378815
The XLogP value of 0.4039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378815. The TPSA of 173.81 Ų indicates high polarity, suggesting RefChem:378815 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378815 has 6 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:378815?
The CAS number of RefChem:378815 is 53222-75-6.
What is the molecular formula of RefChem:378815?
The molecular formula of RefChem:378815 is C26H29Br2N9O.
What is the molecular weight of RefChem:378815?
The molecular weight of RefChem:378815 is 641.09 g/mol.
Where can I buy RefChem:378815?
You can request a quote for RefChem:378815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.