2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate
TL;DR: 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate (CAS 6582-44-1) is a chemical compound with molecular formula C16H20BrNO3 and molecular weight 353.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-bromoanilino)-2-oxoethyl] 3-cyclopentylpropanoate
Also Known As: IDI1_007228, 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate, [2-(2-bromoanilino)-2-oxoethyl] 3-cyclopentylpropanoate, Benzyl alcohol, 3,4-dichloro-.alpha.-[1-(isopropylamino)ethyl]-, hydrochloride, Benzyl alcohol, 3,4-dichloro-alpha-[1-(isopropylamino)ethyl]-, hydrochloride
| Molecular Formula | C16H20BrNO3 |
|---|---|
| Molecular Weight | 353.06 g/mol |
| LogP | 3.9012 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.06265 |
| Heavy Atoms | 21 |
| Complexity | 498.05038 |
Chemical Identifiers
| CAS Number | 6582-44-1 |
|---|---|
| SMILES | C1CCC(C1)CCC(=O)OCC(=O)NC2=CC=CC=C2Br |
Product Overview
2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate (CAS 6582-44-1), with molecular formula C16H20BrNO3 and molecular weight 353.06 g/mol. IUPAC: [2-(2-bromoanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
Chemical Property Profile of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate
Property Insights of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate
The XLogP value of 3.9012 indicates that 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate 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-cyclopentylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate has 1 hydrogen bond donor(s) and 3 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-cyclopentylpropanoate?
The CAS number of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate is 6582-44-1.
What is the molecular formula of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate?
The molecular formula of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate is C16H20BrNO3.
What is the molecular weight of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate?
The molecular weight of 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate is 353.06 g/mol.
Where can I buy 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate?
You can request a quote for 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate 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-cyclopentylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.