4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid
TL;DR: 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid (CAS 52373-92-9) is a chemical compound with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-, 4-amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid, 4-amino-1-(ethylamino)-5,6-dioxo-5,6-dihydrophenanthrene-3-sulfonic acid
| Molecular Formula | C16H14N2O5S |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.06235 |
| Heavy Atoms | 24 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 52373-92-9 |
|---|---|
| SMILES | CCNC1=CC(=C(C2=C1C=CC3=C2C(=O)C(=O)C=C3)N)S(=O)(=O)O |
| InChIKey | QVMFMJICRWNUOS-UHFFFAOYSA-N |
Product Overview
4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid (CAS 52373-92-9), with molecular formula C16H14N2O5S and molecular weight 346.06 g/mol. IUPAC: 4-amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid.
Chemical Property Profile of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid
Property Insights of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid. Following Lipinski's Rule of Five, 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic 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-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid?
The CAS number of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid is 52373-92-9.
What is the molecular formula of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid?
The molecular formula of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid is C16H14N2O5S.
What is the molecular weight of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid?
The molecular weight of 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid is 346.06 g/mol.
Where can I buy 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid?
You can request a quote for 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic 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-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-(ethylamino)-5,6-dioxophenanthrene-3-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.