1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-
TL;DR: 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- (CAS 54266-77-2) 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.
[(Z)-(5-methyl-1,3-oxathiolan-4-ylidene)amino] carbamate
Also Known As: 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-, [(Z)-(5-methyl-1,3-oxathiolan-4-ylidene)amino] carbamate
| Molecular Formula | C5H8N2O3S |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 0.5046 |
| Topological Polar Surface Area | 73.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02556 |
| Heavy Atoms | 11 |
| Complexity | 194.16655 |
Chemical Identifiers
| CAS Number | 54266-77-2 |
|---|---|
| SMILES | CC1/C(=N/OC(=O)N)/SCO1 |
Product Overview
1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- (CAS 54266-77-2), with molecular formula C5H8N2O3S and molecular weight 176.03 g/mol. IUPAC: [(Z)-(5-methyl-1,3-oxathiolan-4-ylidene)amino] carbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-
Property Insights of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-
The XLogP value of 0.5046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-. The TPSA of 73.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- 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-, O-(aminocarbonyl)oxime, (Z)-?
The CAS number of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- is 54266-77-2.
What is the molecular formula of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-?
The molecular formula of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- is C5H8N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-?
The molecular weight of 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- is 176.03 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)-?
You can request a quote for 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- 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-, O-(aminocarbonyl)oxime, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, 5-methyl-, O-(aminocarbonyl)oxime, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.