3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
TL;DR: 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid (CAS 83817-55-4) is a chemical compound with molecular formula C13H10Cl2O8S2 and molecular weight 427.9194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-3-[(5-chloro-2-hydroxy-3-sulfophenyl)methyl]-2-hydroxybenzenesulfonic acid
Also Known As: 2-iodo-4-nitrophenol, 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid, 3,3'-methanediylbis(5-chloro-2-hydroxybenzenesulfonic acid), Benzenesulfonic acid, 3,3'-methylenebis[5-chloro-2-hydroxy-, 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulfonic) acid
Technical Specifications
| Molecular Formula | C13H10Cl2O8S2 |
| Molecular Weight | 427.9194 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.9194 Da |
| Heavy Atoms | 25 |
| Complexity | 613.0 |
| SMILES | C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)O)O)O)S(=O)(=O)O)Cl |
| InChIKey | BWTRVQLOHGVPIN-UHFFFAOYSA-N |
Chemical Property Profile of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
Property Insights of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
The XLogP value of 3.0 indicates that 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid?
The CAS number of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid is 83817-55-4.
What is the molecular formula of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid?
The molecular formula of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid is C13H10Cl2O8S2.
What is the molecular weight of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid?
The molecular weight of 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid is 427.9194 g/mol.
Where can I buy 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid?
You can request a quote for 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid?
Yes, CoreyChem provides custom synthesis services for 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.