1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil
TL;DR: 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil (CAS 136105-76-5) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Also Known As: E-BPU-dM, HEPT deriv., 1-BzOMe-6XylylS-5Et U, 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil, 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 136105-76-5 |
|---|---|
| SMILES | CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C |
| InChIKey | KYQAKOHJHCUILQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil (CAS 136105-76-5), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil
Property Insights of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil
The XLogP value of 4.5 indicates that 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)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 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil. Following Lipinski's Rule of Five, 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)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
Frequently Asked Questions
What is the CAS number of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil?
The CAS number of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil is 136105-76-5.
What is the molecular formula of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil?
The molecular formula of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil is C22H24N2O3S.
What is the molecular weight of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil?
The molecular weight of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil is 396.15 g/mol.
Where can I buy 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil?
You can request a quote for 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.