2-chloroethyl N-(2-chloroethyl)carbamate
TL;DR: 2-chloroethyl N-(2-chloroethyl)carbamate (CAS 101973-67-5) is a chemical compound with molecular formula C5H9Cl2NO2 and molecular weight 185.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl N-(2-chloroethyl)carbamate
Also Known As: 2-chloroethyl N-(2-chloroethyl)carbamate, 2-chloroethyl (2-chloroethyl)carbamate, 2-chloroethyl 2-chloroethylcarbamate, (2-chloroethoxy)-N-(2-chloroethyl)carboxamide, (2-chloro-ethyl)-carbamic acid-(2-chloro-ethyl ester)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9Cl2NO2 |
| Molecular Weight | 185.00104 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.00104 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | C(CCl)NC(=O)OCCCl |
| InChIKey | XIQADOQASLVHKK-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloroethyl N-(2-chloroethyl)carbamate
Property Insights of 2-chloroethyl N-(2-chloroethyl)carbamate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloroethyl N-(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-chloroethyl N-(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloroethyl N-(2-chloroethyl)carbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-chloroethyl N-(2-chloroethyl)carbamate?
The CAS number of 2-chloroethyl N-(2-chloroethyl)carbamate is 101973-67-5.
What is the molecular formula of 2-chloroethyl N-(2-chloroethyl)carbamate?
The molecular formula of 2-chloroethyl N-(2-chloroethyl)carbamate is C5H9Cl2NO2.
What is the molecular weight of 2-chloroethyl N-(2-chloroethyl)carbamate?
The molecular weight of 2-chloroethyl N-(2-chloroethyl)carbamate is 185.00104 g/mol.
Where can I buy 2-chloroethyl N-(2-chloroethyl)carbamate?
You can request a quote for 2-chloroethyl N-(2-chloroethyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloroethyl N-(2-chloroethyl)carbamate?
Yes, CoreyChem provides custom synthesis services for 2-chloroethyl N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.