HEPT deriv.
TL;DR: HEPT deriv. (CAS 125056-93-1) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-hydroxyethoxymethyl)-5-(2-phenylethynyl)-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 1-(2OHEtOMe)-5PhEthynyl-6PhSU, 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-(phenylethynyl)-6-(phenylthio)-, 1-((2-Hydroxyethoxy)methyl)-5-(2-phenylethynyl)-6-(phenylthio)uracil, 1-(2-Hydroxyethoxymethyl)-6-phenylthio-5-(phenylethynyl)uracil
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H18N2O4S |
| Molecular Weight | 394.09872 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.09872 Da |
| Heavy Atoms | 28 |
| Complexity | 666.0 |
| SMILES | C1=CC=C(C=C1)C#CC2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3 |
| InChIKey | BGJLZQABPYKBBO-UHFFFAOYSA-N |
Chemical Property Profile of HEPT deriv.
Property Insights of HEPT deriv.
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HEPT deriv.. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HEPT deriv.. Following Lipinski's Rule of Five, HEPT deriv. has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of HEPT deriv.?
The CAS number of HEPT deriv. is 125056-93-1.
What is the molecular formula of HEPT deriv.?
The molecular formula of HEPT deriv. is C21H18N2O4S.
What is the molecular weight of HEPT deriv.?
The molecular weight of HEPT deriv. is 394.09872 g/mol.
Where can I buy HEPT deriv.?
You can request a quote for HEPT deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for HEPT deriv.?
Yes, CoreyChem provides custom synthesis services for HEPT deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.