1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
TL;DR: 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea (CAS 77691-89-5) is a chemical compound with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
Also Known As: BAS 05437783, 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea, 1-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea, 1-(4-hydroxy-1,1-dioxo-3-thiolanyl)-3-phenylurea, N-(4-hydroxy-1,1-dioxidotetrahydro-3-thienyl)-N'-phenylurea
| Molecular Formula | C11H14N2O4S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | -0.034 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0674 |
| Heavy Atoms | 18 |
| Complexity | 529.234 |
Chemical Identifiers
| CAS Number | 77691-89-5 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)O)NC(=O)NC2=CC=CC=C2 |
Product Overview
1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea (CAS 77691-89-5), with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol. IUPAC: 1-(4-hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea.
Chemical Property Profile of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
Property Insights of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea
The XLogP value of -0.034 indicates that 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea has 3 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-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The CAS number of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is 77691-89-5.
What is the molecular formula of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The molecular formula of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is C11H14N2O4S.
What is the molecular weight of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
The molecular weight of 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea is 270.07 g/mol.
Where can I buy 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
You can request a quote for 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Hydroxy-1,1-dioxothiolan-3-yl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.