RefChem:564676
TL;DR: RefChem:564676 (CAS 83027-40-1) is a chemical compound with molecular formula C24H24N8O11S3 and molecular weight 696.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 5-(2-nitro-4-sulfamoylanilino)-2-[4-(2-nitro-4-sulfamoylanilino)anilino]benzenesulfonate
Also Known As: EINECS 280-143-5, Ammonium 5-((2-nitro-4-sulphamoylphenyl)amino)-2-((4-((2-nitro-4-sulphamoylphenyl)amino)phenyl)amino)benzenesulphonate, Benzenesulfonic acid, 5-((4-(aminosulfonyl)-2-nitrophenyl)amino)-2-((4-((4-(aminosulfonyl)-2-nitrophenyl)amino)phenyl)amino)-, monoammonium salt, AMMONIUM 5-[[2-NITRO-4-SULPHAMOYLPHENYL]AMINO]-2-[[4-[[2-NITRO-4-SULPHAMOYLPHENYL]AMINO]PHENYL]AMINO]BENZENESULPHONATE, Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-[[4-[[4-(aminosulfonyl)-2-nitrophenyl]amino]phenyl]amino]-, monoammonium salt
| Molecular Formula | C24H24N8O11S3 |
|---|---|
| Molecular Weight | 696.07 g/mol |
| LogP | 3.3089 |
| Topological Polar Surface Area | 336.39 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 696.0727 |
| Heavy Atoms | 46 |
| Complexity | 2177.2874 |
Chemical Identifiers
| CAS Number | 83027-40-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])NC3=C(C=C(C=C3)NC4=C(C=C(C=C4)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)[O-].[NH4+] |
Product Overview
RefChem:564676 (CAS 83027-40-1), with molecular formula C24H24N8O11S3 and molecular weight 696.07 g/mol. IUPAC: azanium 5-(2-nitro-4-sulfamoylanilino)-2-[4-(2-nitro-4-sulfamoylanilino)anilino]benzenesulfonate.
Chemical Property Profile of RefChem:564676
Property Insights of RefChem:564676
The XLogP value of 3.3089 indicates that RefChem:564676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 336.39 Ų indicates high polarity, suggesting RefChem:564676 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564676 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564676?
The CAS number of RefChem:564676 is 83027-40-1.
What is the molecular formula of RefChem:564676?
The molecular formula of RefChem:564676 is C24H24N8O11S3.
What is the molecular weight of RefChem:564676?
The molecular weight of RefChem:564676 is 696.07 g/mol.
Where can I buy RefChem:564676?
You can request a quote for RefChem:564676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564676?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.