Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate
TL;DR: Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate (CAS 477868-60-3) is a chemical compound with molecular formula C12H17NO6 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate
Also Known As: tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate, tert-butyl 3-[(Z)-2-methoxy-2-oxoethylidene]-2-oxo-4-morpholinecarboxylate
| Molecular Formula | C12H17NO6 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 0.8372 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.1056 |
| Heavy Atoms | 19 |
| Complexity | 420.42578 |
Chemical Identifiers
| CAS Number | 477868-60-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCOC(=O)C1=CC(=O)OC |
Product Overview
Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate (CAS 477868-60-3), with molecular formula C12H17NO6 and molecular weight 271.11 g/mol. IUPAC: tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate.
Chemical Property Profile of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate
Property Insights of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate
The XLogP value of 0.8372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate 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 Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate?
The CAS number of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate is 477868-60-3.
What is the molecular formula of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate?
The molecular formula of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate is C12H17NO6.
What is the molecular weight of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate?
The molecular weight of Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate is 271.11 g/mol.
Where can I buy Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate?
You can request a quote for Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-(2-methoxy-2-oxoethylidene)-2-oxomorpholine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.