4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid
TL;DR: 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid (CAS 52084-86-3) is a chemical compound with molecular formula C32H21ClF2N6O11S3 and molecular weight 834.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
Also Known As: 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid, (6E)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid, (6Z)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonic acid, 4-(Benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-1,7-naphthalenedisulfonic acid, 4-benzamido-6-[2-(5-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-1-sulfonaphthalen-2-yl)diazen-1-yl]-5-hydroxynaphthalene-1,7-disulfonic acid
| Molecular Formula | C32H21ClF2N6O11S3 |
|---|---|
| Molecular Weight | 834.01 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 834.0087 |
| Heavy Atoms | 55 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 52084-86-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=C(C(=NC(=N6)F)F)Cl)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | GNLPOEKOYFYJPF-UHFFFAOYSA-N |
Product Overview
4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid (CAS 52084-86-3), with molecular formula C32H21ClF2N6O11S3 and molecular weight 834.01 g/mol. IUPAC: 4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid.
Chemical Property Profile of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid
Property Insights of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid
The XLogP value of 5.1 indicates that 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 300.0 Ų indicates high polarity, suggesting 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid?
The CAS number of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid is 52084-86-3.
What is the molecular formula of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid?
The molecular formula of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid is C32H21ClF2N6O11S3.
What is the molecular weight of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid?
The molecular weight of 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid is 834.01 g/mol.
Where can I buy 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid?
You can request a quote for 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzamido-6-((5-(((5-chloro-2,6-difluoropyrimidin-4-yl)amino)methyl)-1-sulfonaphthalen-2-yl)diazenyl)-5-hydroxynaphthalene-1,7-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.