Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate
TL;DR: Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate (CAS 60807-01-4) is a chemical compound with molecular formula C21H29NO5 and molecular weight 375.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybutanoate
Also Known As: Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate, ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybu, ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybutanoate
| Molecular Formula | C21H29NO5 |
|---|---|
| Molecular Weight | 375.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.20456 |
| Heavy Atoms | 27 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 60807-01-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)(C(=O)N1CCCCCC1=O)OCC2=CC=CC=C2 |
| InChIKey | LDCLNASTURPVRH-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate (CAS 60807-01-4), with molecular formula C21H29NO5 and molecular weight 375.20 g/mol. IUPAC: ethyl 3-methyl-2-(2-oxoazepane-1-carbonyl)-2-phenylmethoxybutanoate.
Chemical Property Profile of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate
Property Insights of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate
The XLogP value of 3.3 indicates that Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate. Following Lipinski's Rule of Five, Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate has 0 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-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate?
The CAS number of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate is 60807-01-4.
What is the molecular formula of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate?
The molecular formula of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate is C21H29NO5.
What is the molecular weight of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate?
The molecular weight of Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate is 375.20 g/mol.
Where can I buy Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate?
You can request a quote for Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzyloxy)-3-methyl-2-(2-oxoazepane-1-carbonyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.