5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
TL;DR: 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil (CAS 137897-91-7) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
Also Known As: 5-iPrHEPT, I-HEPU, HEPT deriv., 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil, 5-isopropyl-1-hydroxyethoxymethyl-6-(phenylthio)uracil
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 137897-91-7 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC=C2 |
| InChIKey | SKRGZCVXYHATRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil (CAS 137897-91-7), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione.
Chemical Property Profile of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
Property Insights of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil. Following Lipinski's Rule of Five, 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil has 2 hydrogen bond donor(s) and 5 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-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The CAS number of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 137897-91-7.
What is the molecular formula of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular formula of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is C16H20N2O4S.
What is the molecular weight of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
The molecular weight of 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil is 336.11 g/mol.
Where can I buy 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
You can request a quote for 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.