(氯乙酰)甲基氨基甲酸乙酯
TL;DR: (氯乙酰)甲基氨基甲酸乙酯 (CAS 6378-52-5) is a chemical compound with molecular formula C6H10ClNO3 and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(氯乙酰)甲基氨基甲酸乙酯
ethyl N-(3-chloro-2-oxopropyl)carbamate
Also Known As: Ethyl (chloroacetyl)methylcarbamate, ethyl N-(3-chloro-2-oxopropyl)carbamate, Ethyl(chloroacetyl)methylcarbamate, ethyl(3-chloro-2-oxopropyl)carbamate, Ethyl (3-chloro-2-oxopropyl)carbamate
| Molecular Formula | C6H10ClNO3 |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.03493 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6378-52-5 |
|---|---|
| SMILES | CCOC(=O)NCC(=O)CCl |
| InChIKey | GGDVZLGQKSOUNK-UHFFFAOYSA-N |
Product Overview
(氯乙酰)甲基氨基甲酸乙酯 (CAS 6378-52-5), with molecular formula C6H10ClNO3 and molecular weight 179.03 g/mol. IUPAC: ethyl N-(3-chloro-2-oxopropyl)carbamate.
Chemical Property Profile of (氯乙酰)甲基氨基甲酸乙酯
Property Insights of (氯乙酰)甲基氨基甲酸乙酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (氯乙酰)甲基氨基甲酸乙酯. With a topological polar surface area (TPSA) of 55.4 Ų, (氯乙酰)甲基氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (氯乙酰)甲基氨基甲酸乙酯 has 1 hydrogen bond donor(s) and 3 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 (氯乙酰)甲基氨基甲酸乙酯?
The CAS number of (氯乙酰)甲基氨基甲酸乙酯 is 6378-52-5.
What is the molecular formula of (氯乙酰)甲基氨基甲酸乙酯?
The molecular formula of (氯乙酰)甲基氨基甲酸乙酯 is C6H10ClNO3.
What is the molecular weight of (氯乙酰)甲基氨基甲酸乙酯?
The molecular weight of (氯乙酰)甲基氨基甲酸乙酯 is 179.03 g/mol.
Where can I buy (氯乙酰)甲基氨基甲酸乙酯?
You can request a quote for (氯乙酰)甲基氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (氯乙酰)甲基氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for (氯乙酰)甲基氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.