RefChem:564492
TL;DR: RefChem:564492 (CAS 70911-42-1) is a chemical compound with molecular formula C15H16N2O6S and molecular weight 352.0729 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-(2-(3-(aminocarbonyl)-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinyl)ethyl)-, Benzenesulfonic acid, 4-[2-[3-(aminocarbonyl)-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinyl]ethyl]-, 4-[2-(5-carbamoyl-6-hydroxy-4-methyl-2-oxopyridin-1(2h)-yl)ethyl]benzenesulfonic acid, 4-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxopyridin-1-yl)ethyl]benzenesulfonic acid, 4-[2-(3-Carbamoyl-6-hydroxy-4-methyl-2-oxopyridin-1(2H)-yl)ethyl]benzene-1-sulfonic acid
Technical Specifications
| Molecular Formula | C15H16N2O6S |
| Molecular Weight | 352.0729 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0729 Da |
| Heavy Atoms | 24 |
| Complexity | 696.0 |
| SMILES | CC1=CC(=O)N(C(=C1C(=O)N)O)CCC2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | JUPVFOVWMCZQAQ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:564492
Property Insights of RefChem:564492
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564492. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:564492 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564492 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:564492?
The CAS number of RefChem:564492 is 70911-42-1.
What is the molecular formula of RefChem:564492?
The molecular formula of RefChem:564492 is C15H16N2O6S.
What is the molecular weight of RefChem:564492?
The molecular weight of RefChem:564492 is 352.0729 g/mol.
Where can I buy RefChem:564492?
You can request a quote for RefChem:564492 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:564492?
Yes, CoreyChem provides custom synthesis services for RefChem:564492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.