RefChem:330860
TL;DR: RefChem:330860 (CAS 112997-61-2) is a chemical compound with molecular formula C15H23N3O5S and molecular weight 357.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(4-sulfamoylanilino)butanoate;piperidin-1-ium
Also Known As: Butanoic acid, 4-((4-(aminosulfonyl)phenyl)amino)-4-oxo-, compd. with piperidine (1:1), 4-((4-(Aminosulfonyl)phenyl)amino)-4-oxobutanoic acid compd. with piperidine (1:1), 4-oxo-4-(4-sulfamoylanilino)butanoate; piperidin-1-ium, Piperidin-1-ium 4-oxo-4-(4-sulfamoylanilino)butanoate, piperidinium 4-oxo-4-[(4-sulfamoylphenyl)amino]butanoate
Technical Specifications
| Molecular Formula | C15H23N3O5S |
| Molecular Weight | 357.13583 g/mol |
| XLogP | -1.46 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.13583 Da |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
| SMILES | C1CC[NH2+]CC1.C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N |
| InChIKey | USSSPSQADFVFCS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:330860
Property Insights of RefChem:330860
The XLogP value of -1.46 indicates that RefChem:330860 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:330860 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:330860 has 3 hydrogen bond donor(s) and 6 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:330860?
The CAS number of RefChem:330860 is 112997-61-2.
What is the molecular formula of RefChem:330860?
The molecular formula of RefChem:330860 is C15H23N3O5S.
What is the molecular weight of RefChem:330860?
The molecular weight of RefChem:330860 is 357.13583 g/mol.
Where can I buy RefChem:330860?
You can request a quote for RefChem:330860 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:330860?
Yes, CoreyChem provides custom synthesis services for RefChem:330860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.