RefChem:434938
TL;DR: RefChem:434938 (CAS 75578-77-7) is a chemical compound with molecular formula C33H18N4O10S2 and molecular weight 694.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[6-benzoyl-2-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy-3-hydroxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
Also Known As: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 3-benzoyl-6-hydroxy-1,2-phenylene ester, 3-Benzoyl-6-hydroxy-1,2-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate), 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1,1'-(3-benzoyl-6-hydroxy-1,2-phenylene) ester, 2-Diazo-1,2-dihydro-1-oxo-5-naphthalenesulfonic acid, 2,3-diester with 2,3,4-trihydroxybenzophenone, 5-[6-benzoyl-2-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy-3-hydroxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
| Molecular Formula | C33H18N4O10S2 |
|---|---|
| Molecular Weight | 694.05 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 694.04645 |
| Heavy Atoms | 49 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 75578-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N |
| InChIKey | MIGLKUWUWVDVCY-UHFFFAOYSA-N |
Product Overview
RefChem:434938 (CAS 75578-77-7), with molecular formula C33H18N4O10S2 and molecular weight 694.05 g/mol. IUPAC: 5-[6-benzoyl-2-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy-3-hydroxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate.
Chemical Property Profile of RefChem:434938
Property Insights of RefChem:434938
The XLogP value of 9.5 indicates that RefChem:434938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting RefChem:434938 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434938 has 1 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:434938?
The CAS number of RefChem:434938 is 75578-77-7.
What is the molecular formula of RefChem:434938?
The molecular formula of RefChem:434938 is C33H18N4O10S2.
What is the molecular weight of RefChem:434938?
The molecular weight of RefChem:434938 is 694.05 g/mol.
Where can I buy RefChem:434938?
You can request a quote for RefChem:434938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434938?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.