Ethyl (2-aminophenyl)mercaptoacetate
TL;DR: Ethyl (2-aminophenyl)mercaptoacetate (CAS 162046-52-8) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-aminophenyl)sulfanylacetate
Also Known As: Ethyl (2-aminophenyl)mercaptoacetate, 2-AMINO-N-BOC-BENZYLAMINE, ethyl 2-(2-aminophenyl)sulfanylacetate, ethyl 2-(2-aminophenylthio)acetate, ethyl 2-[(2-aminophenyl)sulfanyl]acetate
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.924 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 314.74524 |
Chemical Identifiers
| CAS Number | 162046-52-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=CC=CC=C1N |
Product Overview
Ethyl (2-aminophenyl)mercaptoacetate (CAS 162046-52-8), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: ethyl 2-(2-aminophenyl)sulfanylacetate.
Chemical Property Profile of Ethyl (2-aminophenyl)mercaptoacetate
Property Insights of Ethyl (2-aminophenyl)mercaptoacetate
The XLogP value of 1.924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-aminophenyl)mercaptoacetate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl (2-aminophenyl)mercaptoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-aminophenyl)mercaptoacetate has 1 hydrogen bond donor(s) and 4 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-aminophenyl)mercaptoacetate?
The CAS number of Ethyl (2-aminophenyl)mercaptoacetate is 162046-52-8.
What is the molecular formula of Ethyl (2-aminophenyl)mercaptoacetate?
The molecular formula of Ethyl (2-aminophenyl)mercaptoacetate is C10H13NO2S.
What is the molecular weight of Ethyl (2-aminophenyl)mercaptoacetate?
The molecular weight of Ethyl (2-aminophenyl)mercaptoacetate is 211.07 g/mol.
Where can I buy Ethyl (2-aminophenyl)mercaptoacetate?
You can request a quote for Ethyl (2-aminophenyl)mercaptoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-aminophenyl)mercaptoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-aminophenyl)mercaptoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.