EINECS 261-851-3
TL;DR: EINECS 261-851-3 (CAS 59672-31-0) is a chemical compound with molecular formula C14H18N4NaO5S2+ and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid
Also Known As: EINECS 261-851-3, Sodium 1-((4-(((4,6- dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)ethanesulphonate, sodium,1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonate, sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid, 1-[[4-[[(4,6-Dimethylpyrimidin-2-yl)amino]sulfonyl]phenyl]amino]ethanesulfonic acid sodium salt
| Molecular Formula | C14H18N4NaO5S2+ |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | -1.45606 |
| Topological Polar Surface Area | 138.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.06165 |
| Heavy Atoms | 26 |
| Complexity | 958.6468 |
Chemical Identifiers
| CAS Number | 59672-31-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(C)S(=O)(=O)O)C.[Na+] |
Product Overview
EINECS 261-851-3 (CAS 59672-31-0), with molecular formula C14H18N4NaO5S2+ and molecular weight 409.06 g/mol. IUPAC: sodium 1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]ethanesulfonic acid.
Chemical Property Profile of EINECS 261-851-3
Property Insights of EINECS 261-851-3
The XLogP value of -1.45606 indicates that EINECS 261-851-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.35 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 261-851-3. Following Lipinski's Rule of Five, EINECS 261-851-3 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 261-851-3?
The CAS number of EINECS 261-851-3 is 59672-31-0.
What is the molecular formula of EINECS 261-851-3?
The molecular formula of EINECS 261-851-3 is C14H18N4NaO5S2+.
What is the molecular weight of EINECS 261-851-3?
The molecular weight of EINECS 261-851-3 is 409.06 g/mol.
Where can I buy EINECS 261-851-3?
You can request a quote for EINECS 261-851-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-851-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-851-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.