叠氮乙酸乙酯
TL;DR: 叠氮乙酸乙酯 (CAS 637-81-0) is a chemical compound with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叠氮乙酸乙酯
ethyl 2-azidoacetate
Also Known As: Ethyl azidoacetate, Ethyl 2-azidoacetate, Azidoacetic acid ethyl ester, Ethylazidoacetate, piperidin-2-one
| Molecular Formula | C4H7N3O2 |
|---|---|
| Molecular Weight | 129.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.05383 |
| Heavy Atoms | 9 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 637-81-0 |
|---|---|
| SMILES | CCOC(=O)CN=[N+]=[N-] |
| InChIKey | HVJJYOAPXBPQQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叠氮乙酸乙酯 (CAS 637-81-0), with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol. IUPAC: ethyl 2-azidoacetate.
Chemical Property Profile of 叠氮乙酸乙酯
Property Insights of 叠氮乙酸乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叠氮乙酸乙酯. With a topological polar surface area (TPSA) of 40.7 Ų, 叠氮乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叠氮乙酸乙酯 has 0 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 叠氮乙酸乙酯?
The CAS number of 叠氮乙酸乙酯 is 637-81-0.
What is the molecular formula of 叠氮乙酸乙酯?
The molecular formula of 叠氮乙酸乙酯 is C4H7N3O2.
What is the molecular weight of 叠氮乙酸乙酯?
The molecular weight of 叠氮乙酸乙酯 is 129.05 g/mol.
Where can I buy 叠氮乙酸乙酯?
You can request a quote for 叠氮乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叠氮乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 叠氮乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.