5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
TL;DR: 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil (CAS 136160-37-7) is a chemical compound with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 1-EtOMe-6PhS-5cyPr2thio U, 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil, 1-[Ethoxymethyl]-5-cyclopropyl-6-(phenylthio)thiouracil, 5-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C16H18N2O2S2 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.92849 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.08096 |
| Heavy Atoms | 22 |
| Complexity | 763.9507 |
Chemical Identifiers
| CAS Number | 136160-37-7 |
|---|---|
| SMILES | CCOCN1C(=C(C(=O)NC1=S)C2CC2)SC3=CC=CC=C3 |
Product Overview
5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil (CAS 136160-37-7), with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol. IUPAC: 5-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
Property Insights of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
The XLogP value of 3.92849 indicates that 5-Cyclopropyl-1-ethoxymethyl-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-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil 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 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil?
The CAS number of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil is 136160-37-7.
What is the molecular formula of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil?
The molecular formula of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil is C16H18N2O2S2.
What is the molecular weight of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil?
The molecular weight of 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil is 334.08 g/mol.
Where can I buy 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil?
You can request a quote for 5-Cyclopropyl-1-ethoxymethyl-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-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.