RefChem:72096
TL;DR: RefChem:72096 (CAS 54345-83-4) is a chemical compound with molecular formula C14H8N2Na2O8S2 and molecular weight 441.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;N-(9,10-dioxoanthracen-1-yl)-N-(sulfonatoamino)sulfamate
Also Known As: 1-(1,2-Disulfohydrazino)anthraquinone, disodium salt, 1,2-Hydrazinedisulfonic acid, 1-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-, disodium salt, 1,2-Hydrazinedisulfonic acid, 1-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-, sodium salt (1:2), disodium9,10-dioxo-1-[sulfonato- amino]anthracene, 1-(1-Anthraquinonyl)hydrazine-1,2-bis(sulfonic acid sodium) salt
| Molecular Formula | C14H8N2Na2O8S2 |
|---|---|
| Molecular Weight | 441.95 g/mol |
| LogP | -6.2986 |
| Topological Polar Surface Area | 163.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.95175 |
| Heavy Atoms | 28 |
| Complexity | 1165.6138 |
Chemical Identifiers
| CAS Number | 54345-83-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)N(NS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
RefChem:72096 (CAS 54345-83-4), with molecular formula C14H8N2Na2O8S2 and molecular weight 441.95 g/mol. IUPAC: disodium;N-(9,10-dioxoanthracen-1-yl)-N-(sulfonatoamino)sulfamate.
Chemical Property Profile of RefChem:72096
Property Insights of RefChem:72096
The XLogP value of -6.2986 indicates that RefChem:72096 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.81 Ų indicates high polarity, suggesting RefChem:72096 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72096 has 1 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 RefChem:72096?
The CAS number of RefChem:72096 is 54345-83-4.
What is the molecular formula of RefChem:72096?
The molecular formula of RefChem:72096 is C14H8N2Na2O8S2.
What is the molecular weight of RefChem:72096?
The molecular weight of RefChem:72096 is 441.95 g/mol.
Where can I buy RefChem:72096?
You can request a quote for RefChem:72096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72096?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.