RefChem:330856
TL;DR: RefChem:330856 (CAS 112997-63-4) is a chemical compound with molecular formula C12H19N3O6S and molecular weight 333.09946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethylazanium;4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with 2-aminoethanol (1:1), 4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with 2-aminoethanol (1:1), 2-Hydroxyethan-1-aminium 4-oxo-4-(4-sulfamoylanilino)butanoate, 2-hydroxyethylazanium; 4-oxo-4-(4-sulfamoylanilino)butanoate
Technical Specifications
| Molecular Formula | C12H19N3O6S |
| Molecular Weight | 333.09946 g/mol |
| XLogP | -2.98 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.09946 Da |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
| SMILES | C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N.C(CO)[NH3+] |
| InChIKey | FXYHGTVBJIPRAV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:330856
Property Insights of RefChem:330856
The XLogP value of -2.98 indicates that RefChem:330856 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting RefChem:330856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330856 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:330856?
The CAS number of RefChem:330856 is 112997-63-4.
What is the molecular formula of RefChem:330856?
The molecular formula of RefChem:330856 is C12H19N3O6S.
What is the molecular weight of RefChem:330856?
The molecular weight of RefChem:330856 is 333.09946 g/mol.
Where can I buy RefChem:330856?
You can request a quote for RefChem:330856 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:330856?
Yes, CoreyChem provides custom synthesis services for RefChem:330856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.