RefChem:117775
TL;DR: RefChem:117775 (CAS 50814-29-4) 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-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[(4-hydroxy-2-methylphenyl)azo]-, disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-hydroxy-2-methylphenyl)azo)-, disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-hydroxy-2-methylphenyl)diazenyl)-, sodium salt (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxy-2-methylphenyl)diazenyl]-, sodium salt (1:2), Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[2-(4-hydroxy-2-methylphenyl)diazenyl]-, sodium salt(1:2)
| Molecular Formula | C28H22N4Na2O8S2 |
|---|---|
| Molecular Weight | 652.07 g/mol |
| LogP | 0.53204 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 652.06744 |
| Heavy Atoms | 44 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 50814-29-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C(C=C(C=C4)O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XEDIAADXGXSTIR-UHFFFAOYSA-L |
Product Overview
RefChem:117775 (CAS 50814-29-4), with molecular formula C28H22N4Na2O8S2 and molecular weight 652.07 g/mol. IUPAC: disodium;5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117775
Property Insights of RefChem:117775
The XLogP value of 0.53204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:117775. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:117775 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117775 has 2 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:117775?
The CAS number of RefChem:117775 is 50814-29-4.
What is the molecular formula of RefChem:117775?
The molecular formula of RefChem:117775 is C28H22N4Na2O8S2.
What is the molecular weight of RefChem:117775?
The molecular weight of RefChem:117775 is 652.07 g/mol.
Where can I buy RefChem:117775?
You can request a quote for RefChem:117775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117775?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.