Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-
TL;DR: Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- (CAS 7597-19-5) is a chemical compound with molecular formula C32H27N3O9S3 and molecular weight 693.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-(4-sulfophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-, 4-[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-(4-sulfoanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate, 2-amino-3-methyl-5-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonic acid, 4-[[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-[(4-sulfophenyl)amino]phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]azaniumyl]benzenesulfonate, Benzenesulfonic acid, 2-amino-3-methyl-5-[(E)-[4-[(4-sulfophenyl)amino]phenyl][(4E)-4-[(4-sulfophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]-
| Molecular Formula | C32H27N3O9S3 |
|---|---|
| Molecular Weight | 693.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 693.09094 |
| Heavy Atoms | 47 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 7597-19-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)S(=O)(=O)O)C(=C2C=CC(=[NH+]C3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-] |
| InChIKey | WXESCRGMRLUOGU-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- (CAS 7597-19-5), with molecular formula C32H27N3O9S3 and molecular weight 693.09 g/mol. IUPAC: 4-[4-[(4-amino-3-methyl-5-sulfophenyl)-[4-(4-sulfophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-
Property Insights of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-
The XLogP value of 4.4 indicates that Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 239.0 Ų indicates high polarity, suggesting Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-?
The CAS number of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- is 7597-19-5.
What is the molecular formula of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-?
The molecular formula of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- is C32H27N3O9S3.
What is the molecular weight of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-?
The molecular weight of Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- is 693.09 g/mol.
Where can I buy Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-?
You can request a quote for Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-amino-3-methyl-5-((E)-(4-((4-sulfophenyl)amino)phenyl)((4E)-4-((4-sulfophenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.