1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-
TL;DR: 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- (CAS 71774-02-2) is a chemical compound with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(2S,5R)-2,5-dimethyl-1,3-oxathiolan-4-ylidene]amino] N-ethylcarbamate
Also Known As: 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-
| Molecular Formula | C8H14N2O3S |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.5439 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.07251 |
| Heavy Atoms | 14 |
| Complexity | 244.74089 |
Chemical Identifiers
| CAS Number | 71774-02-2 |
|---|---|
| SMILES | CCNC(=O)O/N=C\1/[C@H](O[C@@H](S1)C)C |
Product Overview
1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- (CAS 71774-02-2), with molecular formula C8H14N2O3S and molecular weight 218.07 g/mol. IUPAC: [(Z)-[(2S,5R)-2,5-dimethyl-1,3-oxathiolan-4-ylidene]amino] N-ethylcarbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-
Property Insights of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-
The XLogP value of 1.5439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-. With a topological polar surface area (TPSA) of 59.92 Ų, 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- 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, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-?
The CAS number of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- is 71774-02-2.
What is the molecular formula of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-?
The molecular formula of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- is C8H14N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-?
The molecular weight of 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- is 218.07 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-?
You can request a quote for 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- 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, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, 2,5-dimethyl-, O-((ethylamino)carbonyl)oxime, (2alpha,4Z,5beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.