4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate
TL;DR: 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate (CAS 321580-75-0) is a chemical compound with molecular formula C14H18O4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,1-dioxothiolan-3-yl) 3-phenylpropanoate
Also Known As: 4-methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate, (4-methyl-1,1-dioxothiolan-3-yl) 3-phenylpropanoate, 4-Methyl-1,1-dioxidotetrahydro-3-thienyl 3-phenylpropanoate, 4-methyl-1,1-dioxidotetrahydrothiophen-3-yl 3-phenylpropanoate
| Molecular Formula | C14H18O4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 1.5955 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0926 |
| Heavy Atoms | 19 |
| Complexity | 535.8242 |
Chemical Identifiers
| CAS Number | 321580-75-0 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC1OC(=O)CCC2=CC=CC=C2 |
Product Overview
4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate (CAS 321580-75-0), with molecular formula C14H18O4S and molecular weight 282.09 g/mol. IUPAC: (4-methyl-1,1-dioxothiolan-3-yl) 3-phenylpropanoate.
Chemical Property Profile of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate
Property Insights of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate
The XLogP value of 1.5955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate. Following Lipinski's Rule of Five, 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate has 0 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 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate?
The CAS number of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate is 321580-75-0.
What is the molecular formula of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate?
The molecular formula of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate is C14H18O4S.
What is the molecular weight of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate?
The molecular weight of 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate is 282.09 g/mol.
Where can I buy 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate?
You can request a quote for 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1-dioxothiolan-3-yl 3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.