Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
TL;DR: Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate (CAS 941975-16-2) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
Also Known As: ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate, F2761-0111, ethyl N-[3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]carbamate, ethyl N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate, ethyl [m-(1,1-dioxo-1lambda-tetrahydro-2H-isothiazol-2-yl)phenyl]carbamate
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.7949 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 570.84705 |
Chemical Identifiers
| CAS Number | 941975-16-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=CC=C1)N2CCCS2(=O)=O |
Product Overview
Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate (CAS 941975-16-2), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: ethyl N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.
Chemical Property Profile of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
Property Insights of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
The XLogP value of 1.7949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate. Following Lipinski's Rule of Five, Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)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 (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The CAS number of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is 941975-16-2.
What is the molecular formula of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The molecular formula of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is C12H16N2O4S.
What is the molecular weight of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The molecular weight of Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is 284.08 g/mol.
Where can I buy Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
You can request a quote for Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.