5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid
TL;DR: 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid (CAS 156733-00-5) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-(2-ethoxyanilino)benzenesulfonic acid
Also Known As: NCIStruc1_001096, NCIStruc2_000837, 5-amino-2-(2-ethoxyanilino)benzenesulfonic acid, NCI60_000880, 5-Amino-2-o-phenetidinobenzenesulfonic acid
Technical Specifications
| Molecular Formula | C14H16N2O4S |
| Molecular Weight | 308.08307 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.08307 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | CCOC1=CC=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O |
| InChIKey | YRLCWCSMBOVTJM-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid
Property Insights of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid. Following Lipinski's Rule of Five, 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid?
The CAS number of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid is 156733-00-5.
What is the molecular formula of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid?
The molecular formula of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid is C14H16N2O4S.
What is the molecular weight of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid?
The molecular weight of 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid is 308.08307 g/mol.
Where can I buy 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid?
You can request a quote for 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.