N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide
TL;DR: N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide (CAS 942010-91-5) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
Also Known As: N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide, N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide, N-[4-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]propanamide, F2760-0089
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 1.575 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 536.94586 |
Chemical Identifiers
| CAS Number | 942010-91-5 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)N2CCCS2(=O)=O |
Product Overview
N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide (CAS 942010-91-5), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.
Chemical Property Profile of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide
Property Insights of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide
The XLogP value of 1.575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide. Following Lipinski's Rule of Five, N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide has 1 hydrogen bond donor(s) and 3 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 N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide?
The CAS number of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide is 942010-91-5.
What is the molecular formula of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide?
The molecular formula of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide is C12H16N2O3S.
What is the molecular weight of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide?
The molecular weight of N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide is 268.09 g/mol.
Where can I buy N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide?
You can request a quote for N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.