Ethyl 5-pyrimidinecarboxylate
TL;DR: Ethyl 5-pyrimidinecarboxylate (CAS 40929-50-8) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pyrimidine-5-carboxylate
Also Known As: ethyl pyrimidine-5-carboxylate, ethyl 5-pyrimidinecarboxylate, null, 5-ethoxycarbonylpyrimidine, Ethyl5-pyrimidinecarboxylate
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 0.6533 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 235.4557 |
Chemical Identifiers
| CAS Number | 40929-50-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CN=C1 |
Product Overview
Ethyl 5-pyrimidinecarboxylate (CAS 40929-50-8), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: ethyl pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 5-pyrimidinecarboxylate
Property Insights of Ethyl 5-pyrimidinecarboxylate
The XLogP value of 0.6533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-pyrimidinecarboxylate has 0 hydrogen bond donor(s) and 4 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 5-pyrimidinecarboxylate?
The CAS number of Ethyl 5-pyrimidinecarboxylate is 40929-50-8.
What is the molecular formula of Ethyl 5-pyrimidinecarboxylate?
The molecular formula of Ethyl 5-pyrimidinecarboxylate is C7H8N2O2.
What is the molecular weight of Ethyl 5-pyrimidinecarboxylate?
The molecular weight of Ethyl 5-pyrimidinecarboxylate is 152.06 g/mol.
Where can I buy Ethyl 5-pyrimidinecarboxylate?
You can request a quote for Ethyl 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 5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.