4',4'-Diacetamido stilbene-2,2'-disulfonic acid
TL;DR: 4',4'-Diacetamido stilbene-2,2'-disulfonic acid (CAS 5968-56-9) is a chemical compound with molecular formula C18H18N2O8S2 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]benzenesulfonic acid
Also Known As: 4',4'-Diacetamido stilbene-2,2'-disulfonic acid, Sid 3729801, J1.667.800G, 4,4'-Bis-acetylamino-stilben-2,2'-disulfonsaeure, 4,4'-bis-acetylamino-stilbene-2,2'-disulfonic acid
| Molecular Formula | C18H18N2O8S2 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 2.2672 |
| Topological Polar Surface Area | 166.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.05045 |
| Heavy Atoms | 30 |
| Complexity | 1151.4426 |
Chemical Identifiers
| CAS Number | 5968-56-9 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
4',4'-Diacetamido stilbene-2,2'-disulfonic acid (CAS 5968-56-9), with molecular formula C18H18N2O8S2 and molecular weight 454.05 g/mol. IUPAC: 5-acetamido-2-[(E)-2-(4-acetamido-2-sulfophenyl)ethenyl]benzenesulfonic acid.
Chemical Property Profile of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid
Property Insights of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid
The XLogP value of 2.2672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',4'-Diacetamido stilbene-2,2'-disulfonic acid. The TPSA of 166.94 Ų indicates high polarity, suggesting 4',4'-Diacetamido stilbene-2,2'-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4',4'-Diacetamido stilbene-2,2'-disulfonic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid?
The CAS number of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid is 5968-56-9.
What is the molecular formula of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid?
The molecular formula of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid is C18H18N2O8S2.
What is the molecular weight of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid?
The molecular weight of 4',4'-Diacetamido stilbene-2,2'-disulfonic acid is 454.05 g/mol.
Where can I buy 4',4'-Diacetamido stilbene-2,2'-disulfonic acid?
You can request a quote for 4',4'-Diacetamido stilbene-2,2'-disulfonic 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'-Diacetamido stilbene-2,2'-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4',4'-Diacetamido stilbene-2,2'-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.