Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate
TL;DR: Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate (CAS 94277-94-8) is a chemical compound with molecular formula C42H28N6O14S3 and molecular weight 936.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
Also Known As: EINECS 304-670-8, pentyl3,4,5-tris[[sulphonyl]oxy]benzoate, pentyl3,4,5-tris[[ sulphonyl]oxy]benzoate, Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate, potassium ((hexyl(phosphonomethyl)amino)methyl)phosphonate
| Molecular Formula | C42H28N6O14S3 |
|---|---|
| Molecular Weight | 936.08 g/mol |
| LogP | 7.47084 |
| Topological Polar Surface Area | 310.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 936.0826 |
| Heavy Atoms | 65 |
| Complexity | 3465.5166 |
Chemical Identifiers
| CAS Number | 94277-94-8 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC(=C(C(=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N)OS(=O)(=O)C4=CC=CC5=C4C=CC(=C5[O-])[N+]#N)OS(=O)(=O)C6=CC=CC7=C6C=CC(=C7[O-])[N+]#N |
Product Overview
Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate (CAS 94277-94-8), with molecular formula C42H28N6O14S3 and molecular weight 936.08 g/mol. IUPAC: 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate.
Chemical Property Profile of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate
Property Insights of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate
The XLogP value of 7.47084 indicates that Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 310.04 Ų indicates high polarity, suggesting Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate has 0 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 Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate?
The CAS number of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate is 94277-94-8.
What is the molecular formula of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate?
The molecular formula of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate is C42H28N6O14S3.
What is the molecular weight of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate?
The molecular weight of Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate is 936.08 g/mol.
Where can I buy Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate?
You can request a quote for Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.