Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
TL;DR: Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester (CAS 52174-06-8) is a chemical compound with molecular formula C12H15NO4S and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylacetate
Also Known As: Ethyl ((2-(((methylamino)carbonyl)oxy)phenyl)thio)acetate, ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylacetate, Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester, Ethyl ({2-[(methylcarbamoyl)oxy]phenyl}sulfanyl)acetate, BRN 2291171
| Molecular Formula | C12H15NO4S |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 2.06 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.07217 |
| Heavy Atoms | 18 |
| Complexity | 422.29337 |
Chemical Identifiers
| CAS Number | 52174-06-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=CC=CC=C1OC(=O)NC |
Product Overview
Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester (CAS 52174-06-8), with molecular formula C12H15NO4S and molecular weight 269.07 g/mol. IUPAC: ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylacetate.
Chemical Property Profile of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
Property Insights of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester 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 Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The CAS number of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is 52174-06-8.
What is the molecular formula of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The molecular formula of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is C12H15NO4S.
What is the molecular weight of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The molecular weight of Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is 269.07 g/mol.
Where can I buy Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
You can request a quote for Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.