RefChem:563881
TL;DR: RefChem:563881 (CAS 68155-45-3) is a chemical compound with molecular formula C39H35N3O6S2 and molecular weight 705.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(benzenesulfonyl) N,N'-bis(2-bicyclo[2.2.2]octa-1(6),4,7-trienyl)-2-[4-(dimethylamino)phenyl]propanediimidate
Also Known As: Benzenesulfonic acid, (((4-(dimethylamino)phenyl)methylene)bis(4,1-phenylene(ethylimino)methylene))bis-, Benzenesulfonic acid, [[[4-(dimethylamino)phenyl]methylene]bis[4,1-phenylene(ethylimino)methylene]]bis-, bis(benzenesulfonyl) N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidate, RefChem:563881
| Molecular Formula | C39H35N3O6S2 |
|---|---|
| Molecular Weight | 705.20 g/mol |
| LogP | 7.039 |
| Topological Polar Surface Area | 114.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 705.1967 |
| Heavy Atoms | 50 |
| Complexity | 2117.94 |
Chemical Identifiers
| CAS Number | 68155-45-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(C(=NC2CC3=CC=C2C=C3)OS(=O)(=O)C4=CC=CC=C4)C(=NC5CC6=CC=C5C=C6)OS(=O)(=O)C7=CC=CC=C7 |
Product Overview
RefChem:563881 (CAS 68155-45-3), with molecular formula C39H35N3O6S2 and molecular weight 705.20 g/mol. IUPAC: bis(benzenesulfonyl) N,N'-bis(2-bicyclo[2.2.2]octa-1(6),4,7-trienyl)-2-[4-(dimethylamino)phenyl]propanediimidate.
Chemical Property Profile of RefChem:563881
Property Insights of RefChem:563881
The XLogP value of 7.039 indicates that RefChem:563881 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563881. Following Lipinski's Rule of Five, RefChem:563881 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:563881?
The CAS number of RefChem:563881 is 68155-45-3.
What is the molecular formula of RefChem:563881?
The molecular formula of RefChem:563881 is C39H35N3O6S2.
What is the molecular weight of RefChem:563881?
The molecular weight of RefChem:563881 is 705.20 g/mol.
Where can I buy RefChem:563881?
You can request a quote for RefChem:563881 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563881?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563881 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.