N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide
TL;DR: N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide (CAS 1105215-56-2) is a chemical compound with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-phenylethyl)oxamide
Also Known As: VU0497007-1, F2761-0288, N-[5-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)-2-methylphenyl]-N'-(2-phenylethyl)ethanediamide, N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide, N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-phenylethyl)oxamide
| Molecular Formula | C20H23N3O4S |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 1.83232 |
| Topological Polar Surface Area | 95.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.14093 |
| Heavy Atoms | 28 |
| Complexity | 974.20026 |
Chemical Identifiers
| CAS Number | 1105215-56-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C(=O)NCCC3=CC=CC=C3 |
Product Overview
N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide (CAS 1105215-56-2), with molecular formula C20H23N3O4S and molecular weight 401.14 g/mol. IUPAC: N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-phenylethyl)oxamide.
Chemical Property Profile of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide
Property Insights of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide
The XLogP value of 1.83232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide. The TPSA of 95.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide. Following Lipinski's Rule of Five, N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide has 2 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 N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide?
The CAS number of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide is 1105215-56-2.
What is the molecular formula of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide?
The molecular formula of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide is C20H23N3O4S.
What is the molecular weight of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide?
The molecular weight of N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide is 401.14 g/mol.
Where can I buy N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide?
You can request a quote for N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-phenethyloxalamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.