1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-
TL;DR: 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- (CAS 71755-45-8) is a chemical compound with molecular formula C6H9ClN2O3S and molecular weight 224.00 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-(2-chloroethyl)carbamate
Also Known As: 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-, [(E)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate, 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (Z)-
| Molecular Formula | C6H9ClN2O3S |
|---|---|
| Molecular Weight | 224.00 g/mol |
| LogP | 0.9858 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.00224 |
| Heavy Atoms | 13 |
| Complexity | 204.05605 |
Chemical Identifiers
| CAS Number | 71755-45-8 |
|---|---|
| SMILES | C1/C(=N\OC(=O)NCCCl)/SCO1 |
Product Overview
1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- (CAS 71755-45-8), with molecular formula C6H9ClN2O3S and molecular weight 224.00 g/mol. IUPAC: [(E)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate.
Chemical Property Profile of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-
Property Insights of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-
The XLogP value of 0.9858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-. With a topological polar surface area (TPSA) of 59.92 Ų, 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)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-(((2-chloroethyl)amino)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-(((2-chloroethyl)amino)carbonyl)oxime, (E)-?
The CAS number of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- is 71755-45-8.
What is the molecular formula of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-?
The molecular formula of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- is C6H9ClN2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-?
The molecular weight of 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- is 224.00 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)-?
You can request a quote for 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)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-(((2-chloroethyl)amino)carbonyl)oxime, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolan-4-one, O-(((2-chloroethyl)amino)carbonyl)oxime, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.