Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
TL;DR: Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester (CAS 409-02-9) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate
Also Known As: Ethyl 3-((2-(((ethylamino)carbonyl)oxy)phenyl)thio)propannoate, ethyl 3-({2-[(methylcarbamoyl)oxy]phenyl}sulfanyl)propanoate, Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester, ethyl 3-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate, BRN 2297047
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 409-02-9 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=CC=C1OC(=O)NC |
| InChIKey | VTEREDLDXGWSRB-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester (CAS 409-02-9), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: ethyl 3-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate.
Chemical Property Profile of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
Property Insights of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 3-((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 Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The CAS number of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is 409-02-9.
What is the molecular formula of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The molecular formula of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is C13H17NO4S.
What is the molecular weight of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
The molecular weight of Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester is 283.09 g/mol.
Where can I buy Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
You can request a quote for Propanoic acid, 3-((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 Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((2-(((methylamino)carbonyl)oxy)phenyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.