RefChem:417389
TL;DR: RefChem:417389 (CAS 28706-22-1) 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;3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]carbamoylamino]-2-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis-, tetrasodium salt, tetrasodium 3-[(e)-{4-[({4-[(e)-(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl}carbamoyl)amino]-2-methoxyphenyl}diazenyl]naphthalene-1,5-disulfonate, 1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt (1:4), 1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(3-methoxy-4,1-phenylene)azo))bis-, tetrasodium salt, 1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(5-methoxy-4,1-phenylene)azo)bis-, tetrasodium salt
| 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 | 28706-22-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])OC)N=NC5=CC6=C(C=CC=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KIKXQDFFSVCVQD-UHFFFAOYSA-J |
Product Overview
RefChem:417389 (CAS 28706-22-1), with molecular formula C35H24N6Na4O15S4 and molecular weight 987.98 g/mol. IUPAC: tetrasodium;3-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]carbamoylamino]-2-methoxyphenyl]diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:417389
Property Insights of RefChem:417389
The XLogP value of -5.88 indicates that RefChem:417389 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:417389 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417389 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:417389?
The CAS number of RefChem:417389 is 28706-22-1.
What is the molecular formula of RefChem:417389?
The molecular formula of RefChem:417389 is C35H24N6Na4O15S4.
What is the molecular weight of RefChem:417389?
The molecular weight of RefChem:417389 is 987.98 g/mol.
Where can I buy RefChem:417389?
You can request a quote for RefChem:417389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417389?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.