Ethyl 2-(oxepin-2-ylamino)oxyacetate
TL;DR: Ethyl 2-(oxepin-2-ylamino)oxyacetate (CAS 77791-69-6) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(oxepin-2-ylamino)oxyacetate
Also Known As: ethyl 2-(oxepin-2-ylamino)oxyacetate, Ethyl {[(oxepin-2-yl)amino]oxy}acetate, Acetic acid, [(2-oxepinylamino)oxy]-, ethyl ester, ACETIC ACID, 2-(2-OXEPINYLAMINO)OXY-, ETHYL ESTER
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 77791-69-6 |
|---|---|
| SMILES | CCOC(=O)CONC1=CC=CC=CO1 |
| InChIKey | ZWVGCNLIBOKKAP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(oxepin-2-ylamino)oxyacetate (CAS 77791-69-6), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: ethyl 2-(oxepin-2-ylamino)oxyacetate.
Chemical Property Profile of Ethyl 2-(oxepin-2-ylamino)oxyacetate
Property Insights of Ethyl 2-(oxepin-2-ylamino)oxyacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(oxepin-2-ylamino)oxyacetate. With a topological polar surface area (TPSA) of 56.8 Ų, Ethyl 2-(oxepin-2-ylamino)oxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(oxepin-2-ylamino)oxyacetate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-(oxepin-2-ylamino)oxyacetate?
The CAS number of Ethyl 2-(oxepin-2-ylamino)oxyacetate is 77791-69-6.
What is the molecular formula of Ethyl 2-(oxepin-2-ylamino)oxyacetate?
The molecular formula of Ethyl 2-(oxepin-2-ylamino)oxyacetate is C10H13NO4.
What is the molecular weight of Ethyl 2-(oxepin-2-ylamino)oxyacetate?
The molecular weight of Ethyl 2-(oxepin-2-ylamino)oxyacetate is 211.08 g/mol.
Where can I buy Ethyl 2-(oxepin-2-ylamino)oxyacetate?
You can request a quote for Ethyl 2-(oxepin-2-ylamino)oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(oxepin-2-ylamino)oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(oxepin-2-ylamino)oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.