2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
TL;DR: 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt (CAS 931-26-0) is a chemical compound with molecular formula C27H18ClF2N5Na2O9S2 and molecular weight 739.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[3-[[(5-chloro-2,6-difluoropyrimidin-4-yl)-methylamino]methyl]-4-methoxy-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), disodium 1-amino-4-[(3-{[(5-chloro-2,6-difluoropyrimidin-4-yl)(methyl)amino]methyl}-4-methoxy-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
| Molecular Formula | C27H18ClF2N5Na2O9S2 |
|---|---|
| Molecular Weight | 739.00 g/mol |
| LogP | -3.0294 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 738.9998 |
| Heavy Atoms | 48 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 931-26-0 |
|---|---|
| SMILES | CN(CC1=C(C=CC(=C1S(=O)(=O)[O-])NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])OC)C5=C(C(=NC(=N5)F)F)Cl.[Na+].[Na+] |
| InChIKey | FSVQGFGIZGYRLT-UHFFFAOYSA-L |
Product Overview
2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt (CAS 931-26-0), with molecular formula C27H18ClF2N5Na2O9S2 and molecular weight 739.00 g/mol. IUPAC: disodium;1-amino-4-[3-[[(5-chloro-2,6-difluoropyrimidin-4-yl)-methylamino]methyl]-4-methoxy-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
Property Insights of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt
The XLogP value of -3.0294 indicates that 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt has 2 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-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt?
The CAS number of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt is 931-26-0.
What is the molecular formula of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt?
The molecular formula of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt is C27H18ClF2N5Na2O9S2.
What is the molecular weight of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt?
The molecular weight of 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt is 739.00 g/mol.
Where can I buy 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt?
You can request a quote for 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for 2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.