RefChem:268478
TL;DR: RefChem:268478 (CAS 116713-01-0) is a chemical compound with molecular formula C37H46N4O8S2 and molecular weight 738.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-3-benzylbenzimidazol-2-one;methanesulfonic acid
Also Known As: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-3-(phenylmethyl)-, dimethanesulfonate, 1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-3-benzylbenzimidazol-2-one; methanesulfonic acid, Methanesulfonic acid--1-benzyl-3-(2-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}ethyl)-1,3-dihydro-2H-1,3-benzimidazol-2-one (2/1), RefChem:268478
| Molecular Formula | C37H46N4O8S2 |
|---|---|
| Molecular Weight | 738.28 g/mol |
| LogP | 4.2831 |
| Topological Polar Surface Area | 151.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 738.2757 |
| Heavy Atoms | 51 |
| Complexity | 1979.6047 |
Chemical Identifiers
| CAS Number | 116713-01-0 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCN2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
RefChem:268478 (CAS 116713-01-0), with molecular formula C37H46N4O8S2 and molecular weight 738.28 g/mol. IUPAC: 1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-3-benzylbenzimidazol-2-one;methanesulfonic acid.
Chemical Property Profile of RefChem:268478
Property Insights of RefChem:268478
The XLogP value of 4.2831 indicates that RefChem:268478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.38 Ų indicates high polarity, suggesting RefChem:268478 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:268478 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268478?
The CAS number of RefChem:268478 is 116713-01-0.
What is the molecular formula of RefChem:268478?
The molecular formula of RefChem:268478 is C37H46N4O8S2.
What is the molecular weight of RefChem:268478?
The molecular weight of RefChem:268478 is 738.28 g/mol.
Where can I buy RefChem:268478?
You can request a quote for RefChem:268478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268478?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.