1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate
TL;DR: 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate (CAS 81723-24-2) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate
Also Known As: 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate, 1-Ethyl 2,5-dimethyl 1H-azepine-1,2,5-tricarboxylate
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 81723-24-2 |
|---|---|
| SMILES | CCOC(=O)N1C=CC(=CC=C1C(=O)OC)C(=O)OC |
| InChIKey | UOFLKIXVYCZBDS-UHFFFAOYSA-N |
Product Overview
1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate (CAS 81723-24-2), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate.
Chemical Property Profile of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate
Property Insights of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate. Following Lipinski's Rule of Five, 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate has 0 hydrogen bond donor(s) and 6 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 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate?
The CAS number of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate is 81723-24-2.
What is the molecular formula of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate?
The molecular formula of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate is C13H15NO6.
What is the molecular weight of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate?
The molecular weight of 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate is 281.09 g/mol.
Where can I buy 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate?
You can request a quote for 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.