1H-Purine,6-phenyl
TL;DR: 1H-Purine,6-phenyl (CAS 6505-12-0) is a chemical compound with molecular formula C37H27N8Na3O10S2 and molecular weight 876.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[4-[[8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
Also Known As: 1H-Purine,6-phenyl, C.I. Direct brown 52, trisodium salt, trisodium;5-[[4-[4-[[8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate, Benzoic acid, 5-((4'-((8-((2,4-diaminophenyl)azo)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, trisodium salt, Benzoic acid, 5-(2-(4'-(2-(8-(2-(2,4-diaminophenyl)diazenyl)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:3)
| Molecular Formula | C37H27N8Na3O10S2 |
|---|---|
| Molecular Weight | 876.10 g/mol |
| LogP | -1.87086 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 876.09845 |
| Heavy Atoms | 60 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 6505-12-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC5=C(C=C(C=C5)N)N)O)C)N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | KORMHKTWOJTCBN-UHFFFAOYSA-K |
Product Overview
1H-Purine,6-phenyl (CAS 6505-12-0), with molecular formula C37H27N8Na3O10S2 and molecular weight 876.10 g/mol. IUPAC: trisodium;5-[[4-[4-[[8-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of 1H-Purine,6-phenyl
Property Insights of 1H-Purine,6-phenyl
The XLogP value of -1.87086 indicates that 1H-Purine,6-phenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.0 Ų indicates high polarity, suggesting 1H-Purine,6-phenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Purine,6-phenyl has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Purine,6-phenyl?
The CAS number of 1H-Purine,6-phenyl is 6505-12-0.
What is the molecular formula of 1H-Purine,6-phenyl?
The molecular formula of 1H-Purine,6-phenyl is C37H27N8Na3O10S2.
What is the molecular weight of 1H-Purine,6-phenyl?
The molecular weight of 1H-Purine,6-phenyl is 876.10 g/mol.
Where can I buy 1H-Purine,6-phenyl?
You can request a quote for 1H-Purine,6-phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine,6-phenyl?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine,6-phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.