Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate
TL;DR: Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate (CAS 941994-40-7) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
Also Known As: VU0496937-1, F2761-0156, ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate, ethyl N-[5-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)-2-methylphenyl]carbamate, ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 2.10332 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 612.79724 |
Chemical Identifiers
| CAS Number | 941994-40-7 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=CC(=C1)N2CCCS2(=O)=O)C |
Product Overview
Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate (CAS 941994-40-7), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate.
Chemical Property Profile of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate
Property Insights of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate
The XLogP value of 2.10332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate. Following Lipinski's Rule of Five, Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate 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 Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate?
The CAS number of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate is 941994-40-7.
What is the molecular formula of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate?
The molecular formula of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate is C13H18N2O4S.
What is the molecular weight of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate?
The molecular weight of Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate is 298.10 g/mol.
Where can I buy Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate?
You can request a quote for Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.