1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime
TL;DR: 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime (CAS 54352-25-9) 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.
[(E)-(5-methyl-2-propyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
Also Known As: 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime, 5-Methyl-2-propyl-1,3-oxathiolan-4-one O-((methylamino)carbonyl)oxime
| Molecular Formula | C9H16N2O3S |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 1.934 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.08817 |
| Heavy Atoms | 15 |
| Complexity | 257.742 |
Chemical Identifiers
| CAS Number | 54352-25-9 |
|---|---|
| SMILES | CCCC1OC(/C(=N\OC(=O)NC)/S1)C |
Product Overview
1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime (CAS 54352-25-9), with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol. IUPAC: [(E)-(5-methyl-2-propyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime
Property Insights of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime
The XLogP value of 1.934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime. With a topological polar surface area (TPSA) of 59.92 Ų, 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime has 1 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 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime?
The CAS number of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime is 54352-25-9.
What is the molecular formula of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime?
The molecular formula of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime is C9H16N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime?
The molecular weight of 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime is 232.09 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime?
You can request a quote for 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, 5-methyl-2-propyl-, O-((methylamino)carbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.