1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-
TL;DR: 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- (CAS 54266-44-3) is a chemical compound with molecular formula C5H8N2O3S and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1,3-oxathiolan-4-ylideneamino] N-methylcarbamate
Also Known As: DEMB, 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-, syn-4-((Methylcarbamoyl)oximino)-1,3-oxathiolane, [(E)-1,3-oxathiolan-4-ylideneamino] N-methylcarbamate, 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, syn-
| Molecular Formula | C5H8N2O3S |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 0.3768 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02556 |
| Heavy Atoms | 11 |
| Complexity | 174.56635 |
Chemical Identifiers
| CAS Number | 54266-44-3 |
|---|---|
| SMILES | CNC(=O)O/N=C/1\COCS1 |
Product Overview
1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- (CAS 54266-44-3), with molecular formula C5H8N2O3S and molecular weight 176.03 g/mol. IUPAC: [(E)-1,3-oxathiolan-4-ylideneamino] N-methylcarbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-
Property Insights of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-
The XLogP value of 0.3768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-. With a topological polar surface area (TPSA) of 59.92 Ų, 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- 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, O-((methylamino)carbonyl)oxime, (E)-?
The CAS number of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- is 54266-44-3.
What is the molecular formula of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-?
The molecular formula of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- is C5H8N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-?
The molecular weight of 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- is 176.03 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)-?
You can request a quote for 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- 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, O-((methylamino)carbonyl)oxime, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, O-((methylamino)carbonyl)oxime, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.