EINECS 240-501-3
TL;DR: EINECS 240-501-3 (CAS 16452-02-1) is a chemical compound with molecular formula C20H20N2O11S3 and molecular weight 560.02295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-Hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonic acid
4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: 4-Hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonic acid, 4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonic acid, 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonic ac, (3E)-3-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-1-sulfonic acid, 1-Naphthalenesulfonic acid, 4-hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-
Technical Specifications
| Molecular Formula | C20H20N2O11S3 |
| Molecular Weight | 560.02295 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.02295 Da |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O |
| InChIKey | HQWQFTNOKTZRTH-UHFFFAOYSA-N |
Chemical Property Profile of EINECS 240-501-3
Property Insights of EINECS 240-501-3
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 240-501-3. The TPSA of 231.0 Ų indicates high polarity, suggesting EINECS 240-501-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 240-501-3 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 240-501-3?
The CAS number of EINECS 240-501-3 is 16452-02-1.
What is the molecular formula of EINECS 240-501-3?
The molecular formula of EINECS 240-501-3 is C20H20N2O11S3.
What is the molecular weight of EINECS 240-501-3?
The molecular weight of EINECS 240-501-3 is 560.02295 g/mol.
Where can I buy EINECS 240-501-3?
You can request a quote for EINECS 240-501-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 240-501-3?
Yes, CoreyChem provides custom synthesis services for EINECS 240-501-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.