RefChem:446421
TL;DR: RefChem:446421 (CAS 72017-91-5) is a chemical compound with molecular formula C33H22N8Na4O15S4 and molecular weight 989.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-3-methoxyphenyl]azo]phenyl]azo]-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-((4-((4-((8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-3-methoxyphenyl)azo)phenyl)azo)-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4-(2-(4-(2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-3-methoxyphenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonicacid,5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-3-methoxyphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-,sodium salt (1:4), 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-3-methoxyphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:4)
| Molecular Formula | C33H22N8Na4O15S4 |
|---|---|
| Molecular Weight | 989.97 g/mol |
| LogP | -6.5442 |
| Topological Polar Surface Area | 438.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 7 |
| Exact Mass | 989.96783 |
| Heavy Atoms | 64 |
| Complexity | 2000.0 |
Chemical Identifiers
| CAS Number | 72017-91-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])N)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | BFGOZYPHIIBVEK-UHFFFAOYSA-J |
Product Overview
RefChem:446421 (CAS 72017-91-5), with molecular formula C33H22N8Na4O15S4 and molecular weight 989.97 g/mol. IUPAC: tetrasodium;5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446421
Property Insights of RefChem:446421
The XLogP value of -6.5442 indicates that RefChem:446421 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 438.0 Ų indicates high polarity, suggesting RefChem:446421 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446421 has 4 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446421?
The CAS number of RefChem:446421 is 72017-91-5.
What is the molecular formula of RefChem:446421?
The molecular formula of RefChem:446421 is C33H22N8Na4O15S4.
What is the molecular weight of RefChem:446421?
The molecular weight of RefChem:446421 is 989.97 g/mol.
Where can I buy RefChem:446421?
You can request a quote for RefChem:446421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446421?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.