1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-
TL;DR: 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- (CAS 68966-82-5) is a chemical compound with molecular formula C25H42N2O3S and molecular weight 450.29163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-heptadecyl-3-methylbenzimidazole-4-sulfonic acid
Also Known As: 2-Heptadecyl-1-methylbenzimidazolesulfonic acid, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-, 2-heptadecyl-1-methyl-1h-benzimidazole-7-sulfonic acid, 2-heptadecyl-3-methylbenzimidazole-4-sulfonic acid, 2-Heptadecyl-1-methyl-1H-benzimidazolesulfonic acid
Technical Specifications
| Molecular Formula | C25H42N2O3S |
| Molecular Weight | 450.29163 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 450.29163 Da |
| Heavy Atoms | 31 |
| Complexity | 564.0 |
| SMILES | CCCCCCCCCCCCCCCCCC1=NC2=C(N1C)C(=CC=C2)S(=O)(=O)O |
| InChIKey | XFLRDSHXDQDWQH-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-
Property Insights of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-
The XLogP value of 9.0 indicates that 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-. Following Lipinski's Rule of Five, 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-?
The CAS number of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- is 68966-82-5.
What is the molecular formula of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-?
The molecular formula of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- is C25H42N2O3S.
What is the molecular weight of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-?
The molecular weight of 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- is 450.29163 g/mol.
Where can I buy 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-?
You can request a quote for 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl-?
Yes, CoreyChem provides custom synthesis services for 1H-Benzimidazolesulfonic acid, 2-heptadecyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.