Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate
TL;DR: Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate (CAS 18240-45-4) is a chemical compound with molecular formula C7H12ClNO4S and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamate
Also Known As: ethyl N-(4-chloro-1,1-dioxo-1, BAS 00617536, ethyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamate, Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate, ethyl N-(4-chloro-1,1-dioxo-thiolan-3-yl)carbamate
| Molecular Formula | C7H12ClNO4S |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.01756 |
| Heavy Atoms | 14 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 18240-45-4 |
|---|---|
| SMILES | CCOC(=O)NC1CS(=O)(=O)CC1Cl |
| InChIKey | ICAUNZGBLWGKFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate (CAS 18240-45-4), with molecular formula C7H12ClNO4S and molecular weight 241.02 g/mol. IUPAC: ethyl N-(4-chloro-1,1-dioxothiolan-3-yl)carbamate.
Chemical Property Profile of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate
Property Insights of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate. Following Lipinski's Rule of Five, Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate 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-1,1-dioxidotetrahydro-3-thienylcarbamate?
The CAS number of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate is 18240-45-4.
What is the molecular formula of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate?
The molecular formula of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate is C7H12ClNO4S.
What is the molecular weight of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate?
The molecular weight of Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate is 241.02 g/mol.
Where can I buy Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate?
You can request a quote for Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate 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-1,1-dioxidotetrahydro-3-thienylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-1,1-dioxidotetrahydro-3-thienylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.