2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid
TL;DR: 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid (CAS 70911-43-2) is a chemical compound with molecular formula C27H25N6O12PS2 and molecular weight 720.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-carbamoyl-6-hydroxy-4-methyl-2-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid
Also Known As: 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid, Benzenesulfonic acid,2-[2-[5-(aminocarbonyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[2-(3-phosphonophenyl)diazenyl]-, 2-(2-{5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulfophenyl)ethyl]-1,6-dihydropyridin-3-yl}diazen-1-yl)-5-[2-(3-phosphonophenyl)diazen-1-yl]benzene-1-sulfonic acid, 2-[(2E)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid, 2-[(2Z)-2-[5-carbamoyl-4-methyl-2,6-dioxo-1-[2-(4-sulfophenyl)ethyl]pyridin-3-ylidene]hydrazinyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid
| Molecular Formula | C27H25N6O12PS2 |
|---|---|
| Molecular Weight | 720.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 720.0709 |
| Heavy Atoms | 48 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 70911-43-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1C(=O)N)O)CCC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)P(=O)(O)O)S(=O)(=O)O |
| InChIKey | NTGXZLSTWOVPFB-UHFFFAOYSA-N |
Product Overview
2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid (CAS 70911-43-2), with molecular formula C27H25N6O12PS2 and molecular weight 720.07 g/mol. IUPAC: 2-[[5-carbamoyl-6-hydroxy-4-methyl-2-oxo-1-[2-(4-sulfophenyl)ethyl]-3-pyridinyl]diazenyl]-5-[(3-phosphonophenyl)diazenyl]benzenesulfonic acid.
Chemical Property Profile of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid
Property Insights of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid. The TPSA of 316.0 Ų indicates high polarity, suggesting 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid?
The CAS number of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid is 70911-43-2.
What is the molecular formula of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid?
The molecular formula of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid is C27H25N6O12PS2.
What is the molecular weight of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid?
The molecular weight of 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid is 720.07 g/mol.
Where can I buy 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid?
You can request a quote for 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-(2-(4-sulphophenyl)ethyl)-3-pyridyl)azo)-5-((3-phosphonophenyl)azo)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.