ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate
TL;DR: ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate (CAS 33242-92-1) is a chemical compound with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-carbamoylimino-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate
Also Known As: ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate, 1,3-Oxathiolane-4-carboxylic acid, 2-(carbamoylimino)-5-(p-methoxyphenyl)-, ethyl ester, 2-(Carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylic acid ethyl ester
| Molecular Formula | C14H16N2O5S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.078 |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 33242-92-1 |
|---|---|
| SMILES | CCOC(=O)C1C(OC(=NC(=O)N)S1)C2=CC=C(C=C2)OC |
| InChIKey | UCZCOTMMJZGXEK-UHFFFAOYSA-N |
Product Overview
ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate (CAS 33242-92-1), with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol. IUPAC: ethyl 2-carbamoylimino-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate.
Chemical Property Profile of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate
Property Insights of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate?
The CAS number of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate is 33242-92-1.
What is the molecular formula of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate?
The molecular formula of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate is C14H16N2O5S.
What is the molecular weight of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate?
The molecular weight of ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate is 324.08 g/mol.
Where can I buy ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate?
You can request a quote for ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(carbamoylimino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.