RefChem:117777
TL;DR: RefChem:117777 (CAS 65036-69-3) is a chemical compound with molecular formula C28H22N4Na2O8S2 and molecular weight 652.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[(4-methoxyphenyl)diazenyl]-2-[2-[4-[(4-methoxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[(4-methoxyphenyl)azo]-, disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-methoxyphenyl)diazenyl]-, sodium salt (1:2), Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[2-(4-methoxyphenyl)diazenyl]-, sodium salt (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-methoxyphenyl)azo)-, disodium salt, Disodium 2,2'-(ethene-1,2-diyl)bis{5-[(4-methoxyphenyl)diazenyl]benzene-1-sulfonate}
| Molecular Formula | C28H22N4Na2O8S2 |
|---|---|
| Molecular Weight | 652.07 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 652.06744 |
| Heavy Atoms | 44 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 65036-69-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | BIDQMYJLSAMNRO-UHFFFAOYSA-L |
Product Overview
RefChem:117777 (CAS 65036-69-3), with molecular formula C28H22N4Na2O8S2 and molecular weight 652.07 g/mol. IUPAC: disodium;5-[(4-methoxyphenyl)diazenyl]-2-[2-[4-[(4-methoxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117777
Property Insights of RefChem:117777
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117777. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:117777 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117777 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117777?
The CAS number of RefChem:117777 is 65036-69-3.
What is the molecular formula of RefChem:117777?
The molecular formula of RefChem:117777 is C28H22N4Na2O8S2.
What is the molecular weight of RefChem:117777?
The molecular weight of RefChem:117777 is 652.07 g/mol.
Where can I buy RefChem:117777?
You can request a quote for RefChem:117777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117777?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.