![Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate structure](/static/products/1685/1685-06-9.webp)
Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate
TL;DR: Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate (CAS 1685-06-9) is a chemical compound with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4,6-bis(phenylmethoxy)pyrimidin-2-yl]-2-oxopropanoate
Also Known As: ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate, Ethyl 3-(4,6-bis(benzyloxy)pyrimidin-2-yl)-2-oxopropanoate, ethyl 3-[4,6-bis(phenylmethoxy)pyrimidin-2-yl]-2-oxopropanoate, ethyl 3-[4,6-bis(phenylmethoxy)pyrimidin-2-yl]-2-oxopropanoa
| Molecular Formula | C23H22N2O5 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 406.15286 |
| Heavy Atoms | 30 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 1685-06-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC1=NC(=CC(=N1)OCC2=CC=CC=C2)OCC3=CC=CC=C3 |
| InChIKey | LKNAKKFQYUOAST-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate (CAS 1685-06-9), with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol. IUPAC: ethyl 3-[4,6-bis(phenylmethoxy)pyrimidin-2-yl]-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate
Property Insights of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate
The XLogP value of 3.9 indicates that Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate has 0 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 Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate?
The CAS number of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate is 1685-06-9.
What is the molecular formula of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate?
The molecular formula of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate is C23H22N2O5.
What is the molecular weight of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate?
The molecular weight of Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate is 406.15 g/mol.
Where can I buy Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate?
You can request a quote for Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[4,6-bis(benzyloxy)pyrimidin-2-yl]-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.