RefChem:563452
TL;DR: RefChem:563452 (CAS 71701-18-3) is a chemical compound with molecular formula C37H34K2N2O9S3 and molecular weight 824.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
Also Known As: Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, dipotassium salt, Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, potassium salt (1:2), Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, dipotassium salt, Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, dipotassium salt, Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, potassium salt (1:2)
| Molecular Formula | C37H34K2N2O9S3 |
|---|---|
| Molecular Weight | 824.07 g/mol |
| LogP | -0.9651 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 824.07007 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 71701-18-3 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[K+].[K+] |
| InChIKey | FBEFGWRWTAKMML-UHFFFAOYSA-L |
Product Overview
RefChem:563452 (CAS 71701-18-3), with molecular formula C37H34K2N2O9S3 and molecular weight 824.07 g/mol. IUPAC: dipotassium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.
Chemical Property Profile of RefChem:563452
Property Insights of RefChem:563452
The XLogP value of -0.9651 indicates that RefChem:563452 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:563452 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563452 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:563452?
The CAS number of RefChem:563452 is 71701-18-3.
What is the molecular formula of RefChem:563452?
The molecular formula of RefChem:563452 is C37H34K2N2O9S3.
What is the molecular weight of RefChem:563452?
The molecular weight of RefChem:563452 is 824.07 g/mol.
Where can I buy RefChem:563452?
You can request a quote for RefChem:563452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.