RefChem:90114
TL;DR: RefChem:90114 (CAS 80484-71-5) is a chemical compound with molecular formula C24H10ClF2N10Na3O12S3 and molecular weight 867.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[3-sulfonato-4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]benzo[e]benzotriazole-5,9-disulfonate
Also Known As: 2H-Naphtho(1,2-d)triazole-5,9-disulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(4-((hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo)-3-sulfophenyl)-, trisodium salt, 2H-Naphtho(1,2-d)triazole-5,9-disulfonic acid, 7-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(4-(2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl)-3-sulfophenyl)-, sodium salt (1:3), 2H-Naphtho[1,2-d]triazole-5,9-disulfonic acid, 7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]-3-sulfophenyl]-, trisodium salt, 2H-Naphtho[1,2-d]triazole-5,9-disulfonic acid, 7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]-3-sulfophenyl]-, sodium salt (1:3), trisodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-{3-sulfonato-4-[(e)-(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-2h-naphtho[1,2-d][1,2,3]triazole-5,9-disulfonate
| Molecular Formula | C24H10ClF2N10Na3O12S3 |
|---|---|
| Molecular Weight | 867.90 g/mol |
| LogP | -8.4185 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 5 |
| Exact Mass | 867.8992 |
| Heavy Atoms | 55 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 80484-71-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2N=C3C=C(C4=C(C3=N2)C(=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6C(=O)NC(=O)NC6=O.[Na+].[Na+].[Na+] |
| InChIKey | APTYIBHTLARFEV-UHFFFAOYSA-K |
Product Overview
RefChem:90114 (CAS 80484-71-5), with molecular formula C24H10ClF2N10Na3O12S3 and molecular weight 867.90 g/mol. IUPAC: trisodium;7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[3-sulfonato-4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]benzo[e]benzotriazole-5,9-disulfonate.
Chemical Property Profile of RefChem:90114
Property Insights of RefChem:90114
The XLogP value of -8.4185 indicates that RefChem:90114 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting RefChem:90114 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:90114 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:90114?
The CAS number of RefChem:90114 is 80484-71-5.
What is the molecular formula of RefChem:90114?
The molecular formula of RefChem:90114 is C24H10ClF2N10Na3O12S3.
What is the molecular weight of RefChem:90114?
The molecular weight of RefChem:90114 is 867.90 g/mol.
Where can I buy RefChem:90114?
You can request a quote for RefChem:90114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90114?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.