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[2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
TL;DR: [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (CAS 474370-95-1) is a chemical compound with molecular formula C17H16BrNO3S and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
Also Known As: [2-(2-bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate|2-(2-Bromoanilino)-2-oxoethyl 3-(phenylsulfanyl)propanoate|MLS002251644|SMR001314032
| Molecular Formula | C17H16BrNO3S |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 4.1132 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.00342 |
| Heavy Atoms | 23 |
| Complexity | 663.8979 |
Chemical Identifiers
| CAS Number | 474370-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2Br |
Product Overview
[2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate (CAS 474370-95-1), with molecular formula C17H16BrNO3S and molecular weight 393.00 g/mol. IUPAC: [2-(2-bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate.
Chemical Property Profile of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
Property Insights of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
The XLogP value of 4.1132 indicates that [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate 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 [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The CAS number of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is 474370-95-1.
What is the molecular formula of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The molecular formula of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is C17H16BrNO3S.
What is the molecular weight of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
The molecular weight of [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate is 393.00 g/mol.
Where can I buy [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
You can request a quote for [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Bromoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.