![ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate structure](/static/products/4452/445288-41-5.webp)
ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 445288-41-5) is a chemical compound with molecular formula C18H20IN3O5 and molecular weight 485.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(4-(cyanomethoxy)-3-ethoxy-5-iodophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H20IN3O5 |
|---|---|
| Molecular Weight | 485.04 g/mol |
| LogP | 2.78328 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.04477 |
| Heavy Atoms | 27 |
| Complexity | 815.9505 |
Chemical Identifiers
| CAS Number | 445288-41-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC)I)OCC#N |
Product Overview
ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 445288-41-5), with molecular formula C18H20IN3O5 and molecular weight 485.04 g/mol. IUPAC: ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 2.78328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate has 2 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-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 445288-41-5.
What is the molecular formula of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C18H20IN3O5.
What is the molecular weight of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 485.04 g/mol.
Where can I buy ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-(cyanomethoxy)-3-ethoxy-5-iodophenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.