3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate
TL;DR: 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate (CAS 352643-66-4) is a chemical compound with molecular formula C16H13NO5S and molecular weight 331.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,5-dioxopyrrolidin-1-yl)phenyl] benzenesulfonate
Also Known As: 3-(2,5-dioxo-1-pyrrolidinyl)phenyl benzenesulfonate, [3-(2,5-dioxopyrrolidin-1-yl)phenyl] benzenesulfonate, 3-(2,5-dioxopyrrolidin-1-yl)phenyl benzenesulfonate
| Molecular Formula | C16H13NO5S |
|---|---|
| Molecular Weight | 331.05 g/mol |
| LogP | 2.1077 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.05145 |
| Heavy Atoms | 23 |
| Complexity | 845.04913 |
Chemical Identifiers
| CAS Number | 352643-66-4 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3 |
Product Overview
3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate (CAS 352643-66-4), with molecular formula C16H13NO5S and molecular weight 331.05 g/mol. IUPAC: [3-(2,5-dioxopyrrolidin-1-yl)phenyl] benzenesulfonate.
Chemical Property Profile of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate
Property Insights of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate
The XLogP value of 2.1077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 5 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 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate?
The CAS number of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate is 352643-66-4.
What is the molecular formula of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate?
The molecular formula of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate is C16H13NO5S.
What is the molecular weight of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate?
The molecular weight of 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate is 331.05 g/mol.
Where can I buy 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate?
You can request a quote for 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.