Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate
TL;DR: Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate (CAS 61750-18-3) is a chemical compound with molecular formula C14H16N2O6S and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonate
Also Known As: EINECS 262-957-2, Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate, ammonium7-[ amino]-3-hydroxynaphthalene-1-sulphonate, AMMONIUM 7-[(1,3-DIOXOBUTYL)AMINO]-3-HYDROXYNAPHTHALENE-1-SULPHONATE, azanium 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonate
| Molecular Formula | C14H16N2O6S |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 1.7433 |
| Topological Polar Surface Area | 160.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0729 |
| Heavy Atoms | 23 |
| Complexity | 876.2117 |
Chemical Identifiers
| CAS Number | 61750-18-3 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)[O-].[NH4+] |
Product Overview
Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate (CAS 61750-18-3), with molecular formula C14H16N2O6S and molecular weight 340.07 g/mol. IUPAC: azanium 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonate.
Chemical Property Profile of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate
Property Insights of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate
The XLogP value of 1.7433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate. The TPSA of 160.1 Ų indicates high polarity, suggesting Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate 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
Frequently Asked Questions
What is the CAS number of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate?
The CAS number of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate is 61750-18-3.
What is the molecular formula of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate?
The molecular formula of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate is C14H16N2O6S.
What is the molecular weight of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate?
The molecular weight of Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate is 340.07 g/mol.
Where can I buy Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate?
You can request a quote for Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium 7-((1,3-dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.