Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate
TL;DR: Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate (CAS 94134-37-9) is a chemical compound with molecular formula C16H14N2O8S and molecular weight 394.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]benzenesulfonic acid
Also Known As: EINECS 302-805-5, Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate, 4-methoxy-3-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]benzenesulfonic acid, SODIUM 4-METHOXY-3-[[3-(3-NITROPHENYL)-1,3-DIOXOPROPYL]AMINO]BENZENESULFONATE, Sodium 4-methoxy-3-[[3-(3-nitrophenyl)-1,3-dioxopropyl]amino]benzenesulphonate
| Molecular Formula | C16H14N2O8S |
|---|---|
| Molecular Weight | 394.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.0471 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 94134-37-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | GYMDXZVEVWMFOG-UHFFFAOYSA-N |
Product Overview
Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate (CAS 94134-37-9), with molecular formula C16H14N2O8S and molecular weight 394.05 g/mol. IUPAC: 4-methoxy-3-[[3-(3-nitrophenyl)-3-oxopropanoyl]amino]benzenesulfonic acid.
Chemical Property Profile of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate
Property Insights of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate. The TPSA of 164.0 Ų indicates high polarity, suggesting Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate has 2 hydrogen bond donor(s) and 8 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 Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate?
The CAS number of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate is 94134-37-9.
What is the molecular formula of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate?
The molecular formula of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate is C16H14N2O8S.
What is the molecular weight of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate?
The molecular weight of Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate is 394.05 g/mol.
Where can I buy Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate?
You can request a quote for Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-methoxy-3-((3-(3-nitrophenyl)-1,3-dioxopropyl)amino)benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.