RefChem:77116
TL;DR: RefChem:77116 (CAS 64062-76-6) is a chemical compound with molecular formula C22H43N3Na2O8S2 and molecular weight 587.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-methyl-2-[3-[[3-[(2-methyl-1-sulfonatopropan-2-yl)amino]-3-oxopropyl]-octylamino]propanoylamino]propane-1-sulfonate
Also Known As: 1-Propanesulfonic acid, 2,2'-[(octylimino)bis[(1-oxo-3,1-propanediyl)imino]]bis[2-methyl-, disodium salt, disodium2,2'-[ bis[ imino]]bis[2-methylpropanesulphonate], 1-Propanesulfonic acid, 2,2'-((octylimino)bis((1-oxo-3,1-propanediyl)imino))bis(2-methyl-, sodium salt (1:2), 3-[2-(2-nonyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]propanoicacid, Disodium 2,2'-((octylimino)bis((1-oxopropane-3,1-diyl)imino))bis(2-methylpropanesulphonate)
| Molecular Formula | C22H43N3Na2O8S2 |
|---|---|
| Molecular Weight | 587.23 g/mol |
| LogP | -4.68 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 587.2287 |
| Heavy Atoms | 37 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 64062-76-6 |
|---|---|
| SMILES | CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCC(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | IPMVUCNHGNYNPF-UHFFFAOYSA-L |
Product Overview
RefChem:77116 (CAS 64062-76-6), with molecular formula C22H43N3Na2O8S2 and molecular weight 587.23 g/mol. IUPAC: disodium;2-methyl-2-[3-[[3-[(2-methyl-1-sulfonatopropan-2-yl)amino]-3-oxopropyl]-octylamino]propanoylamino]propane-1-sulfonate.
Chemical Property Profile of RefChem:77116
Property Insights of RefChem:77116
The XLogP value of -4.68 indicates that RefChem:77116 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting RefChem:77116 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:77116 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:77116?
The CAS number of RefChem:77116 is 64062-76-6.
What is the molecular formula of RefChem:77116?
The molecular formula of RefChem:77116 is C22H43N3Na2O8S2.
What is the molecular weight of RefChem:77116?
The molecular weight of RefChem:77116 is 587.23 g/mol.
Where can I buy RefChem:77116?
You can request a quote for RefChem:77116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.