RefChem:79696
TL;DR: RefChem:79696 (CAS 68228-07-9) is a chemical compound with molecular formula C31H44N2Na2O6S2 and molecular weight 650.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate
Also Known As: Disodium 2-heptadecyl-1-((3-sulphonatophenyl)methyl)-1H-benzimidazolesulphonate, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-((3-sulfophenyl)methyl)-, disodium salt, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-((3-sulfophenyl)methyl)-, sodium salt (1:2), 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-[(3-sulfophenyl)methyl]-, disodium salt, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-[(3-sulfophenyl)methyl]-, sodium salt (1:2)
| Molecular Formula | C31H44N2Na2O6S2 |
|---|---|
| Molecular Weight | 650.24 g/mol |
| LogP | 1.3147 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 650.2436 |
| Heavy Atoms | 43 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 68228-07-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=C2C(=CC=C1)N(C(=N2)S(=O)(=O)[O-])CC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | AMCWVAKIUQXBRL-UHFFFAOYSA-L |
Product Overview
RefChem:79696 (CAS 68228-07-9), with molecular formula C31H44N2Na2O6S2 and molecular weight 650.24 g/mol. IUPAC: disodium;4-heptadecyl-1-[(3-sulfonatophenyl)methyl]benzimidazole-2-sulfonate.
Chemical Property Profile of RefChem:79696
Property Insights of RefChem:79696
The XLogP value of 1.3147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79696. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:79696 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79696 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79696?
The CAS number of RefChem:79696 is 68228-07-9.
What is the molecular formula of RefChem:79696?
The molecular formula of RefChem:79696 is C31H44N2Na2O6S2.
What is the molecular weight of RefChem:79696?
The molecular weight of RefChem:79696 is 650.24 g/mol.
Where can I buy RefChem:79696?
You can request a quote for RefChem:79696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79696?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.