RefChem:134945
TL;DR: RefChem:134945 (CAS 60662-80-8) is a chemical compound with molecular formula C21H24N4NaO8S3+ and molecular weight 579.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3-phenylpropane-1,3-disulfonic acid
Also Known As: EINECS 262-358-6, Disodium 1-((4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulphonyl)phenyl)amino)-3-phenylpropane-1,3-disulphonate, 262-358-6, Disodium 1-[[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate, disodium,1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3-phenylpropane-1,3-disulfonate
| Molecular Formula | C21H24N4NaO8S3+ |
|---|---|
| Molecular Weight | 579.07 g/mol |
| LogP | -0.45676 |
| Topological Polar Surface Area | 192.72 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 579.06537 |
| Heavy Atoms | 37 |
| Complexity | 1530.7826 |
Chemical Identifiers
| CAS Number | 60662-80-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(CC(C3=CC=CC=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+] |
Product Overview
RefChem:134945 (CAS 60662-80-8), with molecular formula C21H24N4NaO8S3+ and molecular weight 579.07 g/mol. IUPAC: sodium 1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3-phenylpropane-1,3-disulfonic acid.
Chemical Property Profile of RefChem:134945
Property Insights of RefChem:134945
The XLogP value of -0.45676 indicates that RefChem:134945 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.72 Ų indicates high polarity, suggesting RefChem:134945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:134945 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:134945?
The CAS number of RefChem:134945 is 60662-80-8.
What is the molecular formula of RefChem:134945?
The molecular formula of RefChem:134945 is C21H24N4NaO8S3+.
What is the molecular weight of RefChem:134945?
The molecular weight of RefChem:134945 is 579.07 g/mol.
Where can I buy RefChem:134945?
You can request a quote for RefChem:134945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:134945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:134945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.