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Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate
TL;DR: Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate (CAS 328263-19-0) is a chemical compound with molecular formula C12H14BrNO3S and molecular weight 330.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]acetate
Also Known As: ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate, ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]acetate, ethyl 2-({2-[(4-bromophenyl)sulfanyl]acetyl}amino)acetate, AA-768/30891006, ethyl 2-[2-(4-bromophenylthio)acetylamino]acetate
| Molecular Formula | C12H14BrNO3S |
|---|---|
| Molecular Weight | 330.99 g/mol |
| LogP | 2.2205 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.9878 |
| Heavy Atoms | 18 |
| Complexity | 408.28848 |
Chemical Identifiers
| CAS Number | 328263-19-0 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=CC=C(C=C1)Br |
Product Overview
Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate (CAS 328263-19-0), with molecular formula C12H14BrNO3S and molecular weight 330.99 g/mol. IUPAC: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]acetate.
Chemical Property Profile of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate
Property Insights of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate
The XLogP value of 2.2205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate 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-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate?
The CAS number of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate is 328263-19-0.
What is the molecular formula of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate?
The molecular formula of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate is C12H14BrNO3S.
What is the molecular weight of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate?
The molecular weight of Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate is 330.99 g/mol.
Where can I buy Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate?
You can request a quote for Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{2-[(4-bromophenyl)sulfanyl]acetamido}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.