Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
TL;DR: Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 541-79-7) is a chemical compound with molecular formula C5H8Cl3NO3 and molecular weight 234.95697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Also Known As: Carbocloral, Carbochloral, Prodorm, Chloralurethane, Ural
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8Cl3NO3 |
| Molecular Weight | 234.95697 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.95697 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | CCOC(=O)NC(C(Cl)(Cl)Cl)O |
| InChIKey | ITMSAWKLJVGBIT-UHFFFAOYSA-N |
Product Description
Applications: Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate (CAS 541-79-7) is a pharmaceutical intermediate with the molecular formula C5H8Cl3NO3 and a molecular weight of 234.96 g/mol. Synonyms include Carbocloral and Carbochloral.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
Property Insights of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The CAS number of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 541-79-7.
What is the molecular formula of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular formula of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is C5H8Cl3NO3.
What is the molecular weight of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
The molecular weight of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is 234.95697 g/mol.
What are the applications of Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
You can request a quote for Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl N-(2,2,2-trichloro-1-hydroxyethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.