ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 585516-41-2) is a chemical compound with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(chloromethyl)-4-(2-furyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-(chloromethyl)-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C12H13ClN2O4 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 1.6895 |
| Topological Polar Surface Area | 80.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0564 |
| Heavy Atoms | 19 |
| Complexity | 509.80887 |
Chemical Identifiers
| CAS Number | 585516-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CCl |
Product Overview
ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 585516-41-2), with molecular formula C12H13ClN2O4 and molecular weight 284.06 g/mol. IUPAC: ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.6895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 80.57 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 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 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 585516-41-2.
What is the molecular formula of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C12H13ClN2O4.
What is the molecular weight of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 284.06 g/mol.
Where can I buy ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.