RefChem:446430
TL;DR: RefChem:446430 (CAS 68084-09-3) is a chemical compound with molecular formula C34H23N5Na4O16S4 and molecular weight 976.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-amino-4-hydroxy-3-[[4-[4-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:4), Tetrasodium 5-amino-4-hydroxy-3-((4'-((2-hydroxy-3,6-disulphonato-1-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate, 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(2-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:4)
| Molecular Formula | C34H23N5Na4O16S4 |
|---|---|
| Molecular Weight | 976.96 g/mol |
| LogP | -6.87 |
| Topological Polar Surface Area | 397.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 976.96136 |
| Heavy Atoms | 63 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 68084-09-3 |
|---|---|
| SMILES | COC1=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)O)OC)N=NC5=C6C=CC(=CC6=CC(=C5O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ZWCNUFNKRHSFAK-UHFFFAOYSA-J |
Product Overview
RefChem:446430 (CAS 68084-09-3), with molecular formula C34H23N5Na4O16S4 and molecular weight 976.96 g/mol. IUPAC: tetrasodium;5-amino-4-hydroxy-3-[[4-[4-[(2-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446430
Property Insights of RefChem:446430
The XLogP value of -6.87 indicates that RefChem:446430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 397.0 Ų indicates high polarity, suggesting RefChem:446430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446430 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446430?
The CAS number of RefChem:446430 is 68084-09-3.
What is the molecular formula of RefChem:446430?
The molecular formula of RefChem:446430 is C34H23N5Na4O16S4.
What is the molecular weight of RefChem:446430?
The molecular weight of RefChem:446430 is 976.96 g/mol.
Where can I buy RefChem:446430?
You can request a quote for RefChem:446430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.