2-氯乙基氨基甲酸酯
TL;DR: 2-氯乙基氨基甲酸酯 (CAS 2114-18-3) is a chemical compound with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙基氨基甲酸酯
2-chloroethyl carbamate
Also Known As: 2-Chloroethyl carbamate, Chloroethyl carbamate, 2-Chloroethanol carbamate, Ethanol, carbamate, Ethanol, 2-chloro-, 1-carbamate
| Molecular Formula | C3H6ClNO2 |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 123.008705 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2114-18-3 |
|---|---|
| SMILES | C(CCl)OC(=O)N |
| InChIKey | LIJLYNWYKULUHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯乙基氨基甲酸酯 (CAS 2114-18-3), with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol. IUPAC: 2-chloroethyl carbamate.
Chemical Property Profile of 2-氯乙基氨基甲酸酯
Property Insights of 2-氯乙基氨基甲酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 2-氯乙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯乙基氨基甲酸酯 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
Frequently Asked Questions
What is the CAS number of 2-氯乙基氨基甲酸酯?
The CAS number of 2-氯乙基氨基甲酸酯 is 2114-18-3.
What is the molecular formula of 2-氯乙基氨基甲酸酯?
The molecular formula of 2-氯乙基氨基甲酸酯 is C3H6ClNO2.
What is the molecular weight of 2-氯乙基氨基甲酸酯?
The molecular weight of 2-氯乙基氨基甲酸酯 is 123.01 g/mol.
Where can I buy 2-氯乙基氨基甲酸酯?
You can request a quote for 2-氯乙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯乙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.