![4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid structure](/static/products/597/59736-77-5.png)
4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid
TL;DR: 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid (CAS 59736-77-5) is a chemical compound with molecular formula C42H32N4O10S2 and molecular weight 816.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid
Also Known As: 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid, (E)-4,4'-((ethene-1,2-diylbis(5-benzamido-2,1-phenylenesulfonyl))bis(azanediyl))dibenzoic acid, 4,4'-[(E)-ethene-1,2-diylbis({5-[(phenylcarbonyl)amino]benzene-2,1-diyl}sulfonylimino)]dibenzoic acid, 4-[({2-[(1E)-2-(2-{[(4-carboxyphenyl)amino]sulfonyl}-4-(phenylcarbonylamino)ph enyl)vinyl]-5-(phenylcarbonylamino)phenyl}sulfonyl)amino]benzoic acid, 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid
| Molecular Formula | C42H32N4O10S2 |
|---|---|
| Molecular Weight | 816.16 g/mol |
| LogP | 7.3596 |
| Topological Polar Surface Area | 225.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 816.156 |
| Heavy Atoms | 58 |
| Complexity | 2585.5723 |
Chemical Identifiers
| CAS Number | 59736-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)C(=O)O)S(=O)(=O)NC6=CC=C(C=C6)C(=O)O |
Product Overview
4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid (CAS 59736-77-5), with molecular formula C42H32N4O10S2 and molecular weight 816.16 g/mol. IUPAC: 4-[[5-benzamido-2-[(E)-2-[4-benzamido-2-[(4-carboxyphenyl)sulfamoyl]phenyl]ethenyl]phenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid
Property Insights of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid
The XLogP value of 7.3596 indicates that 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.14 Ų indicates high polarity, suggesting 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid has 6 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 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid?
The CAS number of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid is 59736-77-5.
What is the molecular formula of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid?
The molecular formula of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid is C42H32N4O10S2.
What is the molecular weight of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid?
The molecular weight of 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid is 816.16 g/mol.
Where can I buy 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid?
You can request a quote for 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic 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'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(1,2-ethenediylbis{[5-(benzoylamino)-2,1-phenylene]sulfonylimino})dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.