Benzoylamido-4'-aminostilbene-2,2'-disulfonate
TL;DR: Benzoylamido-4'-aminostilbene-2,2'-disulfonate (CAS 25431-18-9) is a chemical compound with molecular formula C21H18N2O7S2 and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(E)-2-(4-benzamido-2-sulfophenyl)ethenyl]benzenesulfonic acid
Also Known As: BADS, MBAS, 4-Benzamido-4'-aminostilbene-2,2'-disulfonate, Benzoylamido-4'-aminostilbene-2,2'-disulfonate, 4-Benzoylamino-4 -aminostilbene-2,2 -disulfonic acid
| Molecular Formula | C21H18N2O7S2 |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 3.1849 |
| Topological Polar Surface Area | 163.86 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.05554 |
| Heavy Atoms | 32 |
| Complexity | 1415.7572 |
Chemical Identifiers
| CAS Number | 25431-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
Benzoylamido-4'-aminostilbene-2,2'-disulfonate (CAS 25431-18-9), with molecular formula C21H18N2O7S2 and molecular weight 474.06 g/mol. IUPAC: 5-amino-2-[(E)-2-(4-benzamido-2-sulfophenyl)ethenyl]benzenesulfonic acid.
Chemical Property Profile of Benzoylamido-4'-aminostilbene-2,2'-disulfonate
Property Insights of Benzoylamido-4'-aminostilbene-2,2'-disulfonate
The XLogP value of 3.1849 indicates that Benzoylamido-4'-aminostilbene-2,2'-disulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.86 Ų indicates high polarity, suggesting Benzoylamido-4'-aminostilbene-2,2'-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoylamido-4'-aminostilbene-2,2'-disulfonate 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 Benzoylamido-4'-aminostilbene-2,2'-disulfonate?
The CAS number of Benzoylamido-4'-aminostilbene-2,2'-disulfonate is 25431-18-9.
What is the molecular formula of Benzoylamido-4'-aminostilbene-2,2'-disulfonate?
The molecular formula of Benzoylamido-4'-aminostilbene-2,2'-disulfonate is C21H18N2O7S2.
What is the molecular weight of Benzoylamido-4'-aminostilbene-2,2'-disulfonate?
The molecular weight of Benzoylamido-4'-aminostilbene-2,2'-disulfonate is 474.06 g/mol.
Where can I buy Benzoylamido-4'-aminostilbene-2,2'-disulfonate?
You can request a quote for Benzoylamido-4'-aminostilbene-2,2'-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylamido-4'-aminostilbene-2,2'-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Benzoylamido-4'-aminostilbene-2,2'-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.