Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate
TL;DR: Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate (CAS 34801-08-6) is a chemical compound with molecular formula C17H31NO5 and molecular weight 329.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)butanoate
Also Known As: ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)butanoate, ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate, 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-2-yl)-butyric acid ethyl ester, 4H-1,3-Oxazine-2-aceticacid, a-(2,2-diethoxyethyl)-5,6-dihydro-4,4,6-trimethyl-, ethyl ester
| Molecular Formula | C17H31NO5 |
|---|---|
| Molecular Weight | 329.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 329.2202 |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 34801-08-6 |
|---|---|
| SMILES | CCOC(CC(C1=NC(CC(O1)C)(C)C)C(=O)OCC)OCC |
| InChIKey | HZOGYJWKCZKNLZ-UHFFFAOYSA-N |
Product Overview
Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate (CAS 34801-08-6), with molecular formula C17H31NO5 and molecular weight 329.22 g/mol. IUPAC: ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)butanoate.
Chemical Property Profile of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate
Property Insights of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate 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 Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate?
The CAS number of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate is 34801-08-6.
What is the molecular formula of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate?
The molecular formula of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate is C17H31NO5.
What is the molecular weight of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate?
The molecular weight of Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate is 329.22 g/mol.
Where can I buy Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate?
You can request a quote for Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxy-2-(4,4,6-trimethyl-5,6-dihydro-4h-1,3-oxazin-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.