![Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate structure](/static/products/5453/5453-63-4.webp)
Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate
TL;DR: Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate (CAS 5453-63-4) is a chemical compound with molecular formula C22H26N2O7 and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate
Also Known As: Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate, methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate, Methyl {4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy}acetate, methyl 2-(4-{[(5E)-1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)acetate
| Molecular Formula | C22H26N2O7 |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 2.4316 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.174 |
| Heavy Atoms | 31 |
| Complexity | 903.12054 |
Chemical Identifiers
| CAS Number | 5453-63-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)OCC(=O)OC |
Product Overview
Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate (CAS 5453-63-4), with molecular formula C22H26N2O7 and molecular weight 430.17 g/mol. IUPAC: methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate.
Chemical Property Profile of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate
Property Insights of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate
The XLogP value of 2.4316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate. Following Lipinski's Rule of Five, Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate has 1 hydrogen bond donor(s) and 7 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 Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate?
The CAS number of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate is 5453-63-4.
What is the molecular formula of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate?
The molecular formula of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate is C22H26N2O7.
What is the molecular weight of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate?
The molecular weight of Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate is 430.17 g/mol.
Where can I buy Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate?
You can request a quote for Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-[(1-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-ethoxy-phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.