1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea
TL;DR: 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea (CAS 507456-83-9) is a chemical compound with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea
Also Known As: 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea, BAS 05437476, AO-022/41057998, 1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-prop-2-en-1-ylurea, BRD-A95427596-001-01-6
| Molecular Formula | C9H16N2O3S |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 0.0488 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.08817 |
| Heavy Atoms | 15 |
| Complexity | 363.55374 |
Chemical Identifiers
| CAS Number | 507456-83-9 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=O)NCC=C |
Product Overview
1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea (CAS 507456-83-9), with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol. IUPAC: 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea.
Chemical Property Profile of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea
Property Insights of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea
The XLogP value of 0.0488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea. Following Lipinski's Rule of Five, 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea has 2 hydrogen bond donor(s) and 3 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-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea?
The CAS number of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea is 507456-83-9.
What is the molecular formula of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea?
The molecular formula of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea is C9H16N2O3S.
What is the molecular weight of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea?
The molecular weight of 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea is 232.09 g/mol.
Where can I buy 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea?
You can request a quote for 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-1,1-dioxothiolan-3-yl)-3-prop-2-enylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.