1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine
TL;DR: 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine (CAS 132774-43-7) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(phenylmethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: HEPT deriv., 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine, 1-[Benzyloxymethyl]-6-phenylthiothymine, 1-[(benzyloxy)methyl]-6-(phenylthio)-thymine, 1-[(2-Benzyloxy)methyl]-6-(phenylthio)thymine
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 132774-43-7 |
|---|---|
| SMILES | CC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC=CC=C3 |
| InChIKey | FJOBRMRZIMEZQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine (CAS 132774-43-7), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: 5-methyl-1-(phenylmethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine
Property Insights of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine
The XLogP value of 3.3 indicates that 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine 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 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine. Following Lipinski's Rule of Five, 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine 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
Frequently Asked Questions
What is the CAS number of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine?
The CAS number of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine is 132774-43-7.
What is the molecular formula of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine?
The molecular formula of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine is C19H18N2O3S.
What is the molecular weight of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine?
The molecular weight of 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine is 354.10 g/mol.
Where can I buy 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine?
You can request a quote for 1-((2-Benzyloxy)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)methyl)-6-(phenylthio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2-Benzyloxy)methyl)-6-(phenylthio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.