![4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid structure](/static/products/6831/68310-47-4.webp)
4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid
TL;DR: 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid (CAS 68310-47-4) is a chemical compound with molecular formula C31H29N3O3S and molecular weight 523.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[4-(4-anilinoanilino)phenyl]methyl]cyclohexa-2,5-dien-1-yl]amino]benzenesulfonic acid
Also Known As: 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid, 4-[[4-[[4-(4-Anilinoanilino)phenyl]methyl]cyclohexa-2,5-dien-1-yl]amino]benzenesulfonic acid, Benzenesulfonic acid, [[4-[(4-aminophenyl)[4-(phenylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]-
| Molecular Formula | C31H29N3O3S |
|---|---|
| Molecular Weight | 523.19 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.193 |
| Heavy Atoms | 38 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 68310-47-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)CC4C=CC(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O |
| InChIKey | JIUIRAQLHPEHIW-UHFFFAOYSA-N |
Product Overview
4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid (CAS 68310-47-4), with molecular formula C31H29N3O3S and molecular weight 523.19 g/mol. IUPAC: 4-[[4-[[4-(4-anilinoanilino)phenyl]methyl]cyclohexa-2,5-dien-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid
Property Insights of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid
The XLogP value of 7.0 indicates that 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid. Following Lipinski's Rule of Five, 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid?
The CAS number of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid is 68310-47-4.
What is the molecular formula of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid?
The molecular formula of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid is C31H29N3O3S.
What is the molecular weight of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid?
The molecular weight of 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid is 523.19 g/mol.
Where can I buy 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid?
You can request a quote for 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-{[4-(4-Anilinoanilino)phenyl]methyl}cyclohexa-2,5-dien-1-yl)amino]benzene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.