5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
TL;DR: 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil (CAS 136160-43-5) is a chemical compound with molecular formula C20H19ClN2O2S2 and molecular weight 418.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 1-ClBzOMe-6PhS-5Et2thio U, 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil, 1-[(4-Chlorobenzyloxy)methyl]-5-ethyl-6-(phenylthio)thiouracil, 1-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C20H19ClN2O2S2 |
|---|---|
| Molecular Weight | 418.06 g/mol |
| LogP | 5.44719 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.05765 |
| Heavy Atoms | 27 |
| Complexity | 1014.89197 |
Chemical Identifiers
| CAS Number | 136160-43-5 |
|---|---|
| SMILES | CCC1=C(N(C(=S)NC1=O)COCC2=CC=C(C=C2)Cl)SC3=CC=CC=C3 |
Product Overview
5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil (CAS 136160-43-5), with molecular formula C20H19ClN2O2S2 and molecular weight 418.06 g/mol. IUPAC: 1-[(4-chlorophenyl)methoxymethyl]-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
Property Insights of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil
The XLogP value of 5.44719 indicates that 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-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, 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-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 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil?
The CAS number of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil is 136160-43-5.
What is the molecular formula of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil?
The molecular formula of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil is C20H19ClN2O2S2.
What is the molecular weight of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil?
The molecular weight of 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil is 418.06 g/mol.
Where can I buy 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil?
You can request a quote for 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-1-((4-chlorobenzyloxy)methyl)-6-(phenylthio)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.