RefChem:438132
TL;DR: RefChem:438132 (CAS 55911-29-0) is a chemical compound with molecular formula C20H22N2O7S2 and molecular weight 466.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium
Also Known As: 1,3-Dimethyl-2-(6-methoxy-2-benzofuranyl)-5-(methylsulfonyl)-1H-benzimidazolium methyl sulfate, 1H-Benzimidazolium, 2-(6-methoxy-2-benzofuranyl)-1,3-dimethyl-5-(methylsulfonyl)-, methyl sulfate, 1H-Benzimidazolium, 2-(6-methoxy-2-benzofuranyl)-1,3-dimethyl-5-(methylsulfonyl)-, methyl sulfate (1:1), 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-6-(methylsulfonyl)-1h-benzimidazol-3-ium methanesulfonate, 2-(6-Methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)-1H-benzimidazolium methyl sulphate
| Molecular Formula | C20H22N2O7S2 |
|---|---|
| Molecular Weight | 466.09 g/mol |
| LogP | 1.99 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.08685 |
| Heavy Atoms | 31 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 55911-29-0 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)S(=O)(=O)C)[N+](=C1C3=CC4=C(O3)C=C(C=C4)OC)C.CS(=O)(=O)[O-] |
| InChIKey | LLHMXCWGVQXBDN-UHFFFAOYSA-M |
Product Overview
RefChem:438132 (CAS 55911-29-0), with molecular formula C20H22N2O7S2 and molecular weight 466.09 g/mol. IUPAC: methanesulfonate;2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium.
Chemical Property Profile of RefChem:438132
Property Insights of RefChem:438132
The XLogP value of 1.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:438132. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438132. Following Lipinski's Rule of Five, RefChem:438132 has 0 hydrogen bond donor(s) and 7 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:438132?
The CAS number of RefChem:438132 is 55911-29-0.
What is the molecular formula of RefChem:438132?
The molecular formula of RefChem:438132 is C20H22N2O7S2.
What is the molecular weight of RefChem:438132?
The molecular weight of RefChem:438132 is 466.09 g/mol.
Where can I buy RefChem:438132?
You can request a quote for RefChem:438132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.