N-氰乙酰基乙基氨基甲酸酯
TL;DR: N-氰乙酰基乙基氨基甲酸酯 (CAS 6629-04-5) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-氰乙酰基乙基氨基甲酸酯
ethyl N-(2-cyanoacetyl)carbamate
Also Known As: N-Cyanoacetylurethane, Ethyl (2-cyanoacetyl)carbamate, Cyanoacetylurethan, ethyl N-(2-cyanoacetyl)carbamate, Ethyl cyanoacetylcarbamate
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6629-04-5 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CC#N |
| InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-氰乙酰基乙基氨基甲酸酯 (CAS 6629-04-5), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: ethyl N-(2-cyanoacetyl)carbamate.
Chemical Property Profile of N-氰乙酰基乙基氨基甲酸酯
Property Insights of N-氰乙酰基乙基氨基甲酸酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-氰乙酰基乙基氨基甲酸酯. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-氰乙酰基乙基氨基甲酸酯. Following Lipinski's Rule of Five, N-氰乙酰基乙基氨基甲酸酯 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 N-氰乙酰基乙基氨基甲酸酯?
The CAS number of N-氰乙酰基乙基氨基甲酸酯 is 6629-04-5.
What is the molecular formula of N-氰乙酰基乙基氨基甲酸酯?
The molecular formula of N-氰乙酰基乙基氨基甲酸酯 is C6H8N2O3.
What is the molecular weight of N-氰乙酰基乙基氨基甲酸酯?
The molecular weight of N-氰乙酰基乙基氨基甲酸酯 is 156.05 g/mol.
Where can I buy N-氰乙酰基乙基氨基甲酸酯?
You can request a quote for N-氰乙酰基乙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-氰乙酰基乙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for N-氰乙酰基乙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.