RefChem:459296
TL;DR: RefChem:459296 (CAS 63450-67-9) is a chemical compound with molecular formula C43H47IN2Na2O6S2 and molecular weight 924.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;iodide
Also Known As: 1H-Benz[e]indolium, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrienyl]-1,1-dimethyl-3-(4-sulfobutyl)-, iodide, disodium salt, 2-(7-(1,3-Dihydro-1,1-dimethyl-3-(4-sulphonatobutyl)-2H-benz(e)indol-2-ylidene)hepta-1,3,5-trienyl)-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz(e)indolium disodium iodide, 2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulphonatobutyl)-2H-benz[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethyl-3-(4-sulphonatobutyl)-1H-benz[e]indolium disodium iodide, 1H-Benz(e)indolium, 2-(7-(1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz(e)indol-2-ylidene)-1,3,5-heptatrien-1-yl)-1,1-dimethyl-3-(4-sulfobutyl)-, iodide, sodium salt (1:1:2), 1H-Benz(e)indolium, 2-(7-(1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz(e)indol-2-ylidene)-1,3,5-heptatrienyl)-1,1-dimethyl-3-(4-sulfobutyl)-,iodide, disodium salt
| Molecular Formula | C43H47IN2Na2O6S2 |
|---|---|
| Molecular Weight | 924.17 g/mol |
| LogP | -0.6177 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 924.1716 |
| Heavy Atoms | 56 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 63450-67-9 |
|---|---|
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+].[Na+].[I-] |
| InChIKey | HDIVZKFFHOZQDS-UHFFFAOYSA-L |
Product Overview
RefChem:459296 (CAS 63450-67-9), with molecular formula C43H47IN2Na2O6S2 and molecular weight 924.17 g/mol. IUPAC: disodium;4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate;iodide.
Chemical Property Profile of RefChem:459296
Property Insights of RefChem:459296
The XLogP value of -0.6177 indicates that RefChem:459296 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:459296. Following Lipinski's Rule of Five, RefChem:459296 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:459296?
The CAS number of RefChem:459296 is 63450-67-9.
What is the molecular formula of RefChem:459296?
The molecular formula of RefChem:459296 is C43H47IN2Na2O6S2.
What is the molecular weight of RefChem:459296?
The molecular weight of RefChem:459296 is 924.17 g/mol.
Where can I buy RefChem:459296?
You can request a quote for RefChem:459296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:459296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:459296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.