RefChem:72857
TL;DR: RefChem:72857 (CAS 68227-41-8) is a chemical compound with molecular formula C35H24N6Na4O15S4 and molecular weight 987.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxyphenyl]carbamoylamino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: tetrasodium 7-[(e)-{4-[({4-[(e)-(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxyphenyl}carbamoyl)amino]-3-methoxyphenyl}diazenyl]naphthalene-1,3-disulfonate, 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:4), 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(3-methoxy-4,1-phenylene)azo))bis-, tetrasodium salt, Tetrasodium 7,7'-(carbonylbis(imino(3-methoxy-4,1-phenylene)azo))bisnaphthalene-1,3-disulphonate, 1,3-Naphthalenedisulfonic acid, 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-, sodium salt (1:4)
| Molecular Formula | C35H24N6Na4O15S4 |
|---|---|
| Molecular Weight | 987.98 g/mol |
| LogP | -5.88 |
| Topological Polar Surface Area | 371.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 987.97736 |
| Heavy Atoms | 64 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 68227-41-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)NC4=C(C=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | IYQIZSSDYZJUES-UHFFFAOYSA-J |
Product Overview
RefChem:72857 (CAS 68227-41-8), with molecular formula C35H24N6Na4O15S4 and molecular weight 987.98 g/mol. IUPAC: tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxyphenyl]carbamoylamino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:72857
Property Insights of RefChem:72857
The XLogP value of -5.88 indicates that RefChem:72857 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 371.0 Ų indicates high polarity, suggesting RefChem:72857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72857 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72857?
The CAS number of RefChem:72857 is 68227-41-8.
What is the molecular formula of RefChem:72857?
The molecular formula of RefChem:72857 is C35H24N6Na4O15S4.
What is the molecular weight of RefChem:72857?
The molecular weight of RefChem:72857 is 987.98 g/mol.
Where can I buy RefChem:72857?
You can request a quote for RefChem:72857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.