RefChem:79895
TL;DR: RefChem:79895 (CAS 72496-91-4) is a chemical compound with molecular formula C27H18BrClN6Na2O8S2 and molecular weight 777.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonate
Also Known As: 1H-Naphth(1,2-d)imidazole-7-sulfonic acid, 8-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-1-((2-chlorophenyl)amino)-9-hydroxy-2-methyl-, disodium salt, 1H-Naphth(1,2-d)imidazole-7-sulfonic acid, 8-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-1-((2-chlorophenyl)amino)-9-hydroxy-2-methyl-, sodium salt (1:2), 1H-Naphth[1,2-d]imidazole-7-sulfonic acid, 8-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-, disodium salt, 1H-Naphth[1,2-d]imidazole-7-sulfonic acid, 8-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-, sodium salt (1:2), 1H-Naphth[1,2-d]imidazole-7-sulfonicacid,8-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-,sodium salt (1:2)
| Molecular Formula | C27H18BrClN6Na2O8S2 |
|---|---|
| Molecular Weight | 777.93 g/mol |
| LogP | -0.18918 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 777.9295 |
| Heavy Atoms | 47 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 72496-91-4 |
|---|---|
| SMILES | CC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C(=C(C=C4C=C2)S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)NC(=O)C(=C)Br)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | JTANQVPWCXDKLE-UHFFFAOYSA-L |
Product Overview
RefChem:79895 (CAS 72496-91-4), with molecular formula C27H18BrClN6Na2O8S2 and molecular weight 777.93 g/mol. IUPAC: disodium;8-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonate.
Chemical Property Profile of RefChem:79895
Property Insights of RefChem:79895
The XLogP value of -0.18918 indicates that RefChem:79895 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.0 Ų indicates high polarity, suggesting RefChem:79895 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79895 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79895?
The CAS number of RefChem:79895 is 72496-91-4.
What is the molecular formula of RefChem:79895?
The molecular formula of RefChem:79895 is C27H18BrClN6Na2O8S2.
What is the molecular weight of RefChem:79895?
The molecular weight of RefChem:79895 is 777.93 g/mol.
Where can I buy RefChem:79895?
You can request a quote for RefChem:79895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.