1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
TL;DR: 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil (CAS 136105-78-7) is a chemical compound with molecular formula C22H24N2O2S2 and molecular weight 412.13 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)-2-sulfanylidenepyrimidin-4-one
Also Known As: E-BPU-SdM, HEPT deriv., 1-BzOMe-6XylylS-6Et2thio U, 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil, 5-ethyl-1-benzyloxymethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
| Molecular Formula | C22H24N2O2S2 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 5.41063 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.12793 |
| Heavy Atoms | 28 |
| Complexity | 1051.8802 |
Chemical Identifiers
| CAS Number | 136105-78-7 |
|---|---|
| SMILES | CCC1=C(N(C(=S)NC1=O)COCC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C |
Product Overview
1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil (CAS 136105-78-7), with molecular formula C22H24N2O2S2 and molecular weight 412.13 g/mol. IUPAC: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
Property Insights of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil
The XLogP value of 5.41063 indicates that 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil?
The CAS number of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil is 136105-78-7.
What is the molecular formula of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil?
The molecular formula of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil is C22H24N2O2S2.
What is the molecular weight of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil?
The molecular weight of 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil is 412.13 g/mol.
Where can I buy 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil?
You can request a quote for 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil 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)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyloxymethyl-5-ethyl-6-(3,5-dimethylphenylthio)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.