3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid
TL;DR: 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid (CAS 68959-36-4) is a chemical compound with molecular formula C43H51N3O6S2 and molecular weight 769.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid
Also Known As: 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid, 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid, Benzenesulfonic acid, 3,3'-(((4-(diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis-
| Molecular Formula | C43H51N3O6S2 |
|---|---|
| Molecular Weight | 769.32 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 769.3219 |
| Heavy Atoms | 54 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 68959-36-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(C(C2=CC(=CC=C2)S(=O)(=O)O)NCC3=CC(=CC(=C3)C)C)C(C4=CC(=CC=C4)S(=O)(=O)O)NCC5=CC(=CC(=C5)C)C |
| InChIKey | QYJJCBJXDGQCBZ-UHFFFAOYSA-N |
Product Overview
3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid (CAS 68959-36-4), with molecular formula C43H51N3O6S2 and molecular weight 769.32 g/mol. IUPAC: 3-[2-[4-(diethylamino)phenyl]-1,3-bis[(3,5-dimethylphenyl)methylamino]-3-(3-sulfophenyl)propyl]benzenesulfonic acid.
Chemical Property Profile of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid
Property Insights of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid. The TPSA of 153.0 Ų indicates high polarity, suggesting 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid has 4 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 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid?
The CAS number of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid is 68959-36-4.
What is the molecular formula of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid?
The molecular formula of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid is C43H51N3O6S2.
What is the molecular weight of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid?
The molecular weight of 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid is 769.32 g/mol.
Where can I buy 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid?
You can request a quote for 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(((4-(Diethylamino)phenyl)methylene)bis((3-methyl-4,1-phenylene)(ethylimino)methylene))bis(benzenesulphonic) acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.