RefChem:72288
TL;DR: RefChem:72288 (CAS 75198-88-8) is a chemical compound with molecular formula C21H12ClFN6Na4O12S4 and molecular weight 813.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfonatophenyl]diazenyl]naphthalene-1,3,5-trisulfonate
Also Known As: 1,3,5-Naphthalenetrisulfonic acid, 7-((4-amino-2-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-sulfophenyl)azo)-, tetrasodium salt, 1,3,5-Naphthalenetrisulfonic acid, 7-(2-(4-amino-2-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-sulfophenyl)diazenyl)-, sodium salt (1:4), 3-((2-((5-Chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)-4-amino-5-sulfophenyl)azo)-1,5,7-naphthalenetrisulfonic acid, tetrasodium salt, 1,3,5-Naphthalenetrisulfonic acid, 7-[[4-amino-2-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-sulfophenyl]azo]-, tetrasodium salt, 1,3,5-Naphthalenetrisulfonic acid, 7-[2-[4-amino-2-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-5-sulfophenyl]diazenyl]-, sodium salt (1:4)
| Molecular Formula | C21H12ClFN6Na4O12S4 |
|---|---|
| Molecular Weight | 813.87 g/mol |
| LogP | -9.89568 |
| Topological Polar Surface Area | 351.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 813.86597 |
| Heavy Atoms | 49 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 75198-88-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)F)NC2=C(C=C(C(=C2)N)S(=O)(=O)[O-])N=NC3=CC4=C(C=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | PHRNTSBRTBLANR-UHFFFAOYSA-J |
Product Overview
RefChem:72288 (CAS 75198-88-8), with molecular formula C21H12ClFN6Na4O12S4 and molecular weight 813.87 g/mol. IUPAC: tetrasodium;7-[[4-amino-2-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-5-sulfonatophenyl]diazenyl]naphthalene-1,3,5-trisulfonate.
Chemical Property Profile of RefChem:72288
Property Insights of RefChem:72288
The XLogP value of -9.89568 indicates that RefChem:72288 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 351.0 Ų indicates high polarity, suggesting RefChem:72288 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72288 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72288?
The CAS number of RefChem:72288 is 75198-88-8.
What is the molecular formula of RefChem:72288?
The molecular formula of RefChem:72288 is C21H12ClFN6Na4O12S4.
What is the molecular weight of RefChem:72288?
The molecular weight of RefChem:72288 is 813.87 g/mol.
Where can I buy RefChem:72288?
You can request a quote for RefChem:72288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72288?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.