RefChem:446037
TL;DR: RefChem:446037 (CAS 68345-21-1) is a chemical compound with molecular formula C44H34N4Na2O13S4 and molecular weight 1000.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-hydroxy-3-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-((3,3'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)oxy)-, disodium salt, disodium (3Z)-3-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-5-(4-methylphenyl)sulfonyloxy-4-oxonaphthalene-2,7-disulfonate, Disodium 3-((3,3'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)oxy)naphthalene-2,7-disulphonate, Disodium 3-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]oxy]naphthalene-2,7-disulphonate
| Molecular Formula | C44H34N4Na2O13S4 |
|---|---|
| Molecular Weight | 1000.08 g/mol |
| LogP | 3.63 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 1000.0801 |
| Heavy Atoms | 67 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 68345-21-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])OS(=O)(=O)C7=CC=C(C=C7)C)O)C)C.[Na+].[Na+] |
| InChIKey | ZRWXOODTQIOLBO-UHFFFAOYSA-L |
Product Overview
RefChem:446037 (CAS 68345-21-1), with molecular formula C44H34N4Na2O13S4 and molecular weight 1000.08 g/mol. IUPAC: disodium;4-hydroxy-3-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446037
Property Insights of RefChem:446037
The XLogP value of 3.63 indicates that RefChem:446037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 304.0 Ų indicates high polarity, suggesting RefChem:446037 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446037 has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446037?
The CAS number of RefChem:446037 is 68345-21-1.
What is the molecular formula of RefChem:446037?
The molecular formula of RefChem:446037 is C44H34N4Na2O13S4.
What is the molecular weight of RefChem:446037?
The molecular weight of RefChem:446037 is 1000.08 g/mol.
Where can I buy RefChem:446037?
You can request a quote for RefChem:446037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446037?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.