RefChem:117913
TL;DR: RefChem:117913 (CAS 68834-04-8) is a chemical compound with molecular formula C16H13N4NaO7S and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate
Also Known As: Benzenesulfonic acid, 3-nitro-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo), sodium salt, Benzenesulfonic acid, 3-nitro-4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)-, monosodium salt, sodium 4-{(e)-[1,3-dioxo-1-(phenylamino)butan-2-yl]diazenyl}-3-nitrobenzenesulfonate, Benzenesulfonic acid, 3-nitro-4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)-, sodium salt (1:1), Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, monosodium salt
| Molecular Formula | C16H13N4NaO7S |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | -0.82 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.04025 |
| Heavy Atoms | 29 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 68834-04-8 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | RBRLUNJQBQJIDD-UHFFFAOYSA-M |
Product Overview
RefChem:117913 (CAS 68834-04-8), with molecular formula C16H13N4NaO7S and molecular weight 428.04 g/mol. IUPAC: sodium 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-nitrobenzenesulfonate.
Chemical Property Profile of RefChem:117913
Property Insights of RefChem:117913
The XLogP value of -0.82 indicates that RefChem:117913 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:117913 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117913 has 1 hydrogen bond donor(s) and 9 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 RefChem:117913?
The CAS number of RefChem:117913 is 68834-04-8.
What is the molecular formula of RefChem:117913?
The molecular formula of RefChem:117913 is C16H13N4NaO7S.
What is the molecular weight of RefChem:117913?
The molecular weight of RefChem:117913 is 428.04 g/mol.
Where can I buy RefChem:117913?
You can request a quote for RefChem:117913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117913?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.