1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-
TL;DR: 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- (CAS 61813-45-4) is a chemical compound with molecular formula C31H45N3O5S and molecular weight 571.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1-octadecyl-3H-benzimidazol-1-ium-5-sulfonate
Also Known As: EINECS 263-241-2, 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-, 2-(4-Nitrophenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid, 2-(4-nitrophenyl)-1-octadecyl-3H-benzimidazol-1-ium-5-sulfonate, 2-(4-Nitrophenyl)-3-octadecyl-1H-benzimidazol-3-ium-6-sulfonate
| Molecular Formula | C31H45N3O5S |
|---|---|
| Molecular Weight | 571.31 g/mol |
| LogP | 8.1962 |
| Topological Polar Surface Area | 120.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 571.308 |
| Heavy Atoms | 40 |
| Complexity | 1302.5021 |
Chemical Identifiers
| CAS Number | 61813-45-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[N+]1=C(NC2=C1C=CC(=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- (CAS 61813-45-4), with molecular formula C31H45N3O5S and molecular weight 571.31 g/mol. IUPAC: 2-(4-nitrophenyl)-1-octadecyl-3H-benzimidazol-1-ium-5-sulfonate.
Chemical Property Profile of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-
Property Insights of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-
The XLogP value of 8.1962 indicates that 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-. Following Lipinski's Rule of Five, 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-?
The CAS number of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- is 61813-45-4.
What is the molecular formula of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-?
The molecular formula of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- is C31H45N3O5S.
What is the molecular weight of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-?
The molecular weight of 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- is 571.31 g/mol.
Where can I buy 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-?
You can request a quote for 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.