4-Amino-4'-nitrostilbene-2,2'-disulfonic acid
TL;DR: 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid (CAS 12037-47-7) is a chemical compound with molecular formula C14H12N2O8S2 and molecular weight 400.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
Also Known As: NASDA, 4-Nitro-4'-aminostilbene-2,2'-disulfonic acid, 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid, EINECS 204-346-5, 4-Amino-4'-nitro-2,2'-stilbenedisulfonic acid
| Molecular Formula | C14H12N2O8S2 |
|---|---|
| Molecular Weight | 400.00 g/mol |
| LogP | 1.8408 |
| Topological Polar Surface Area | 177.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0035 |
| Heavy Atoms | 26 |
| Complexity | 1121.631 |
Chemical Identifiers
| CAS Number | 12037-47-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
4-Amino-4'-nitrostilbene-2,2'-disulfonic acid (CAS 12037-47-7), with molecular formula C14H12N2O8S2 and molecular weight 400.00 g/mol. IUPAC: 5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid.
Chemical Property Profile of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid
Property Insights of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid
The XLogP value of 1.8408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid. The TPSA of 177.9 Ų indicates high polarity, suggesting 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid has 3 hydrogen bond donor(s) and 7 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-Amino-4'-nitrostilbene-2,2'-disulfonic acid?
The CAS number of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid is 12037-47-7.
What is the molecular formula of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid?
The molecular formula of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid is C14H12N2O8S2.
What is the molecular weight of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid?
The molecular weight of 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid is 400.00 g/mol.
Where can I buy 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid?
You can request a quote for 4-Amino-4'-nitrostilbene-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-Amino-4'-nitrostilbene-2,2'-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-4'-nitrostilbene-2,2'-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.