RefChem:434941
TL;DR: RefChem:434941 (CAS 77831-91-5) is a chemical compound with molecular formula C41H24N4O8S2 and molecular weight 764.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diazonio-5-[2-[[1-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxynaphthalen-2-yl]methyl]naphthalen-1-yl]oxysulfonylnaphthalen-1-olate
Also Known As: 5,5'-[methanediylbis(naphthalene-2,1-diyloxysulfonyl)]bis(2-diazonionaphthalen-1-olate), 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, methylenedi-1,2-naphthalenediyl ester, 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 1,1'-(methylenedi-1,2-naphthalenediyl) ester, 2-diazonio-5-[2-[[1-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxynaphthalen-2-yl]methyl]naphthalen-1-yl]oxysulfonylnaphthalen-1-olate, Methylenedi(naphthalene-2,1-diyl) bis(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate)
| Molecular Formula | C41H24N4O8S2 |
|---|---|
| Molecular Weight | 764.10 g/mol |
| LogP | 12.9 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 764.1036 |
| Heavy Atoms | 55 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 77831-91-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2OS(=O)(=O)C3=CC=CC4=C3C=CC(=C4[O-])[N+]#N)CC5=C(C6=CC=CC=C6C=C5)OS(=O)(=O)C7=CC=CC8=C7C=CC(=C8[O-])[N+]#N |
| InChIKey | MPKLHPFITUIYEL-UHFFFAOYSA-N |
Product Overview
RefChem:434941 (CAS 77831-91-5), with molecular formula C41H24N4O8S2 and molecular weight 764.10 g/mol. IUPAC: 2-diazonio-5-[2-[[1-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxynaphthalen-2-yl]methyl]naphthalen-1-yl]oxysulfonylnaphthalen-1-olate.
Chemical Property Profile of RefChem:434941
Property Insights of RefChem:434941
The XLogP value of 12.9 indicates that RefChem:434941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting RefChem:434941 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434941 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:434941?
The CAS number of RefChem:434941 is 77831-91-5.
What is the molecular formula of RefChem:434941?
The molecular formula of RefChem:434941 is C41H24N4O8S2.
What is the molecular weight of RefChem:434941?
The molecular weight of RefChem:434941 is 764.10 g/mol.
Where can I buy RefChem:434941?
You can request a quote for RefChem:434941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434941?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.