(4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide
TL;DR: (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide (CAS 55613-04-2) is a chemical compound with molecular formula C8H14N2O4S and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-1,1-dioxothiolan-3-yl)propanediamide
Also Known As: 2-(4-methyl-1,1-dioxo-thiolan-3-yl)propanediamide, 2-(4-methyl-1,1-dioxothiolan-3-yl)propanediamide, 2-(4-methyl-1,1-dioxidotetrahydro-3-thienyl)malonamide, (4-methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide
| Molecular Formula | C8H14N2O4S |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | -1.7461 |
| Topological Polar Surface Area | 120.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06743 |
| Heavy Atoms | 15 |
| Complexity | 375.44586 |
Chemical Identifiers
| CAS Number | 55613-04-2 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC1C(C(=O)N)C(=O)N |
Product Overview
(4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide (CAS 55613-04-2), with molecular formula C8H14N2O4S and molecular weight 234.07 g/mol. IUPAC: 2-(4-methyl-1,1-dioxothiolan-3-yl)propanediamide.
Chemical Property Profile of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide
Property Insights of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide
The XLogP value of -1.7461 indicates that (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide. Following Lipinski's Rule of Five, (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide has 2 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)methane-1,1-dicarboxamide?
The CAS number of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide is 55613-04-2.
What is the molecular formula of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide?
The molecular formula of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide is C8H14N2O4S.
What is the molecular weight of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide?
The molecular weight of (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide is 234.07 g/mol.
Where can I buy (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide?
You can request a quote for (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide 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)methane-1,1-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-1,1-dioxothiolan-3-yl)methane-1,1-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.