RefChem:79697
TL;DR: RefChem:79697 (CAS 5554-20-1) is a chemical compound with molecular formula C62H90N4Na2O12S4 and molecular weight 1256.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium bis(2-[(2-heptadecoxysulfonylbenzimidazol-1-yl)methyl]benzenesulfonate)
Also Known As: 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-((sulfophenyl)methyl)-, disodium salt, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-((sulfophenyl)methyl)-, sodium salt (1:2), Disodium 2-heptadecyl-1-((sulphonatophenyl)methyl)-1H-benzimidazolesulphonate, disodium 2-heptadecyl-1-[(sulphonatophenyl)methyl]-1H-benzimidazolesulphonate, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-[(sulfophenyl)methyl]-, disodium salt
| Molecular Formula | C62H90N4Na2O12S4 |
|---|---|
| Molecular Weight | 1256.52 g/mol |
| LogP | 9.1388 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 40 |
| Exact Mass | 1256.5233 |
| Heavy Atoms | 84 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 5554-20-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCOS(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | HZNWGQJYRQDSCP-UHFFFAOYSA-L |
Product Overview
RefChem:79697 (CAS 5554-20-1), with molecular formula C62H90N4Na2O12S4 and molecular weight 1256.52 g/mol. IUPAC: disodium bis(2-[(2-heptadecoxysulfonylbenzimidazol-1-yl)methyl]benzenesulfonate).
Chemical Property Profile of RefChem:79697
Property Insights of RefChem:79697
The XLogP value of 9.1388 indicates that RefChem:79697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.0 Ų indicates high polarity, suggesting RefChem:79697 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79697 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79697?
The CAS number of RefChem:79697 is 5554-20-1.
What is the molecular formula of RefChem:79697?
The molecular formula of RefChem:79697 is C62H90N4Na2O12S4.
What is the molecular weight of RefChem:79697?
The molecular weight of RefChem:79697 is 1256.52 g/mol.
Where can I buy RefChem:79697?
You can request a quote for RefChem:79697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.