5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil
TL;DR: 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil (CAS 136160-34-4) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(phenylmethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Also Known As: I-BPU, HEPT deriv., 1-BzOMe-6PhS-5-i-Pr U, 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil, 1-[(Benzyloxy)methyl]-5-isopropyl-6-(phenylthio)uracil
Technical Specifications
| Molecular Formula | C21H22N2O3S |
| Molecular Weight | 382.1351 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1351 Da |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
| SMILES | CC(C)C1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC=CC=C3 |
| InChIKey | WGWFCFMAZPEFFJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil
Property Insights of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil
The XLogP value of 4.1 indicates that 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil. Following Lipinski's Rule of Five, 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil?
The CAS number of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil is 136160-34-4.
What is the molecular formula of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil?
The molecular formula of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil is C21H22N2O3S.
What is the molecular weight of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil?
The molecular weight of 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil is 382.1351 g/mol.
Where can I buy 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil?
You can request a quote for 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil?
Yes, CoreyChem provides custom synthesis services for 5-Isopropyl-1-((benzyloxy)methyl)-6-(phenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.