RefChem:79706
TL;DR: RefChem:79706 (CAS 4935-41-5) is a chemical compound with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(6-methoxy-1-benzofuran-2-yl)-3-methylbenzimidazol-3-ium;methyl sulfate
Also Known As: 1H-Benzimidazolium, 2-(6-methoxy-2-benzofuranyl)-3-methyl-1-(phenylmethyl)-, methyl sulfate, 1H-Benzimidazolium,2-(6-methoxy-2-benzofuranyl)-3-methyl-1-(phenylmethyl)-,methyl sulfate, 2-1-benzyl-3-methyl-1h-benzimidazoliummethylsulphate, 2- -1-benzyl-3-methyl-1H-benzimidazoliummethylsulphate, 1-benzyl-2-(6-methoxy-1-benzofuran-2-yl)-3-methyl-1h-benzimidazol-3-ium methyl sulfate
| Molecular Formula | C25H24N2O6S |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 4.0289 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.1355 |
| Heavy Atoms | 34 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 4935-41-5 |
|---|---|
| SMILES | C[N+]1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC5=C(O4)C=C(C=C5)OC.COS(=O)(=O)[O-] |
| InChIKey | IRNXJHLMJQDDEA-UHFFFAOYSA-M |
Product Overview
RefChem:79706 (CAS 4935-41-5), with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol. IUPAC: 1-benzyl-2-(6-methoxy-1-benzofuran-2-yl)-3-methylbenzimidazol-3-ium;methyl sulfate.
Chemical Property Profile of RefChem:79706
Property Insights of RefChem:79706
The XLogP value of 4.0289 indicates that RefChem:79706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79706. Following Lipinski's Rule of Five, RefChem:79706 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79706?
The CAS number of RefChem:79706 is 4935-41-5.
What is the molecular formula of RefChem:79706?
The molecular formula of RefChem:79706 is C25H24N2O6S.
What is the molecular weight of RefChem:79706?
The molecular weight of RefChem:79706 is 480.14 g/mol.
Where can I buy RefChem:79706?
You can request a quote for RefChem:79706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79706?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.