RefChem:378816
TL;DR: RefChem:378816 (CAS 53290-90-7) is a chemical compound with molecular formula C42H47N9O7S2 and molecular weight 853.30 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-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
Also Known As: Quinolinium, 6-amino-4-(3-amino-p-((p-acetylphenyl)carbamoyl)anilino)-1-propyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate, 6-Amino-4-{3-amino-4-[(4-{(1E)-1-[(diaminomethylidene)hydrazinylidene]ethyl}phenyl)carbamoyl]anilino}-1-propylquinolin-1-ium 4-methylbenzene-1-sulfonate--4-methylbenzene-1-sulfonic acid (1/1/1), RefChem:378816
| Molecular Formula | C42H47N9O7S2 |
|---|---|
| Molecular Weight | 853.30 g/mol |
| LogP | 5.83584 |
| Topological Polar Surface Area | 285.38 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 853.304 |
| Heavy Atoms | 60 |
| Complexity | 2665.8042 |
Chemical Identifiers
| CAS Number | 53290-90-7 |
|---|---|
| SMILES | CCC[N+]1=C2C=CC(=CC2=C(C=C1)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)/C(=N/N=C(N)N)/C)N)N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:378816 (CAS 53290-90-7), with molecular formula C42H47N9O7S2 and molecular weight 853.30 g/mol. IUPAC: 2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:378816
Property Insights of RefChem:378816
The XLogP value of 5.83584 indicates that RefChem:378816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 285.38 Ų indicates high polarity, suggesting RefChem:378816 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378816 has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378816?
The CAS number of RefChem:378816 is 53290-90-7.
What is the molecular formula of RefChem:378816?
The molecular formula of RefChem:378816 is C42H47N9O7S2.
What is the molecular weight of RefChem:378816?
The molecular weight of RefChem:378816 is 853.30 g/mol.
Where can I buy RefChem:378816?
You can request a quote for RefChem:378816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.