![4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester structure](/static/products/374/374093-30-8.png)
4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
TL;DR: 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester (CAS 374093-30-8) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-(4-chlorophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester, ethyl 4-(5-(4-chlorophenyl)furan-2-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[5-(4-chlorophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-[5-(4-chlorophenyl)furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C18H17ClN2O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.9559 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.06485 |
| Heavy Atoms | 25 |
| Complexity | 842.261 |
Chemical Identifiers
| CAS Number | 374093-30-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=CC=C(C=C3)Cl)C |
Product Overview
4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester (CAS 374093-30-8), with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol. IUPAC: ethyl 4-[5-(4-chlorophenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
Property Insights of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
The XLogP value of 3.9559 indicates that 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester 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 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester?
The CAS number of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is 374093-30-8.
What is the molecular formula of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester?
The molecular formula of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is C18H17ClN2O3S.
What is the molecular weight of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester?
The molecular weight of 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester is 376.06 g/mol.
Where can I buy 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester?
You can request a quote for 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(4-Chloro-phenyl)-furan-2-yl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.