RefChem:76510
TL;DR: RefChem:76510 (CAS 72152-51-3) is a chemical compound with molecular formula C26H15ClF2N7Na3O9S3 and molecular weight 806.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;6-amino-5-[[5-[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatoanilino]-2-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate
Also Known As: 1-Naphthalenesulfonic acid, 6-amino-5-((5-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)azo)-, trisodium salt, 1-Naphthalenesulfonic acid, 6-amino-5-(2-(5-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)diazenyl)-, sodium salt (1:3), 6-Amino-5-((5-((5-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulfophenyl)amino)-2-sulfophenyl)azo)naphthalene-1-sulfonic acid, trisodium salt, 1-Naphthalenesulfonic acid, 6-amino-5-[[5-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]amino]-2-sulfophenyl]azo]-, trisodium salt, 1-Naphthalenesulfonic acid, 6-amino-5-[2-[5-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]amino]-2-sulfophenyl]diazenyl]-, sodium salt (1:3)
| Molecular Formula | C26H15ClF2N7Na3O9S3 |
|---|---|
| Molecular Weight | 806.94 g/mol |
| LogP | -4.2295 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 806.94434 |
| Heavy Atoms | 51 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 72152-51-3 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2N=NC3=C(C=CC(=C3)NC4=C(C=CC(=C4)NC5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N)C(=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | CQZKCYGIFGZYRT-UHFFFAOYSA-K |
Product Overview
RefChem:76510 (CAS 72152-51-3), with molecular formula C26H15ClF2N7Na3O9S3 and molecular weight 806.94 g/mol. IUPAC: trisodium;6-amino-5-[[5-[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatoanilino]-2-sulfonatophenyl]diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of RefChem:76510
Property Insights of RefChem:76510
The XLogP value of -4.2295 indicates that RefChem:76510 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.0 Ų indicates high polarity, suggesting RefChem:76510 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:76510 has 3 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 RefChem:76510?
The CAS number of RefChem:76510 is 72152-51-3.
What is the molecular formula of RefChem:76510?
The molecular formula of RefChem:76510 is C26H15ClF2N7Na3O9S3.
What is the molecular weight of RefChem:76510?
The molecular weight of RefChem:76510 is 806.94 g/mol.
Where can I buy RefChem:76510?
You can request a quote for RefChem:76510 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76510?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76510 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.