2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate (CAS 352672-96-9) is a chemical compound with molecular formula C18H11BrClNO3 and molecular weight 402.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate, [2-(4-bromophenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate, 2-(4-bromophenyl)-2-oxoethyl 2-chloro-4-quinolinecarboxylate
| Molecular Formula | C18H11BrClNO3 |
|---|---|
| Molecular Weight | 402.96 g/mol |
| LogP | 4.6904 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.9611 |
| Heavy Atoms | 24 |
| Complexity | 925.20013 |
Chemical Identifiers
| CAS Number | 352672-96-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate (CAS 352672-96-9), with molecular formula C18H11BrClNO3 and molecular weight 402.96 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-chloroquinoline-4-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate
The XLogP value of 4.6904 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate has 0 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-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is 352672-96-9.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is C18H11BrClNO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate is 402.96 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 2-chloroquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.