1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine
TL;DR: 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine (CAS 132774-36-8) is a chemical compound with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(2-phenylmethoxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: 1-BzOEtOMe-6PhS T, HEPT deriv., 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine, 1-[(2-benzyloxyethoxy)methyl]-6-phenylthiothymine, 1-[[(2-Benzyloxy)ethoxy]methyl]-6-(phenylthio)thymine
| Molecular Formula | C21H22N2O4S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.13004 |
| Heavy Atoms | 28 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 132774-36-8 |
|---|---|
| SMILES | CC1=C(N(C(=O)NC1=O)COCCOCC2=CC=CC=C2)SC3=CC=CC=C3 |
| InChIKey | BAJHHABXVVMDBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine (CAS 132774-36-8), with molecular formula C21H22N2O4S and molecular weight 398.13 g/mol. IUPAC: 5-methyl-1-(2-phenylmethoxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine
Property Insights of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine
The XLogP value of 3.2 indicates that 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine. Following Lipinski's Rule of Five, 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine has 1 hydrogen bond donor(s) and 5 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 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine?
The CAS number of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine is 132774-36-8.
What is the molecular formula of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine?
The molecular formula of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine is C21H22N2O4S.
What is the molecular weight of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine?
The molecular weight of 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine is 398.13 g/mol.
Where can I buy 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine?
You can request a quote for 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(((2-Benzyloxy)ethoxy)methyl)-6-(phenylthio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.