PB 580
TL;DR: PB 580 (CAS 65116-29-2) is a chemical compound with molecular formula C14H15F3N2O4S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide
Also Known As: PB 580, 2-Ethyl-2-methyl-N-(p-sulfamoyl-alpha,alpha,alpha-trifluoro-m-tolyl) succinimide, o-Toluenesulfonamide, 4-(2-ethyl-2-methyl-N-succinimido)-alpha,alpha,alpha-trifluoro-, 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide, Succinimide, 2-ethyl-2-methyl-N-(p-sulfamoyl-alpha,alpha,alpha-trifluoro-m-tolyl)-
| Molecular Formula | C14H15F3N2O4S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 2.0324 |
| Topological Polar Surface Area | 97.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.07047 |
| Heavy Atoms | 24 |
| Complexity | 819.7987 |
Chemical Identifiers
| CAS Number | 65116-29-2 |
|---|---|
| SMILES | CCC1(CC(=O)N(C1=O)C2=CC(=C(C=C2)S(=O)(=O)N)C(F)(F)F)C |
Product Overview
PB 580 (CAS 65116-29-2), with molecular formula C14H15F3N2O4S and molecular weight 364.07 g/mol. IUPAC: 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide.
Chemical Property Profile of PB 580
Property Insights of PB 580
The XLogP value of 2.0324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PB 580. The TPSA of 97.54 Ų falls within the moderate polarity range, balancing permeability and solubility for PB 580. Following Lipinski's Rule of Five, PB 580 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PB 580?
The CAS number of PB 580 is 65116-29-2.
What is the molecular formula of PB 580?
The molecular formula of PB 580 is C14H15F3N2O4S.
What is the molecular weight of PB 580?
The molecular weight of PB 580 is 364.07 g/mol.
Where can I buy PB 580?
You can request a quote for PB 580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PB 580?
Yes, KEHONG BIO provides custom synthesis services for PB 580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.