Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
TL;DR: Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate (CAS 941886-93-7) is a chemical compound with molecular formula C12H15ClN2O4S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate
Also Known As: VU0496959-1, ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate, F2761-0210, ethyl N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate, ethyl N-[4-chloro-3-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]carbamate
| Molecular Formula | C12H15ClN2O4S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.4483 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0441 |
| Heavy Atoms | 20 |
| Complexity | 617.88336 |
Chemical Identifiers
| CAS Number | 941886-93-7 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=C(C=C1)Cl)N2CCCS2(=O)=O |
Product Overview
Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate (CAS 941886-93-7), with molecular formula C12H15ClN2O4S and molecular weight 318.04 g/mol. IUPAC: ethyl N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]carbamate.
Chemical Property Profile of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
Property Insights of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate
The XLogP value of 2.4483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-chloro-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 (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate. Following Lipinski's Rule of Five, Ethyl (4-chloro-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 (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The CAS number of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is 941886-93-7.
What is the molecular formula of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The molecular formula of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is C12H15ClN2O4S.
What is the molecular weight of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
The molecular weight of Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate is 318.04 g/mol.
Where can I buy Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
You can request a quote for Ethyl (4-chloro-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 (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-chloro-3-(1,1-dioxidoisothiazolidin-2-yl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.