2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate (CAS 312592-33-9) is a chemical compound with molecular formula C15H10BrNO6 and molecular weight 378.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 3-hydroxy-4-nitrobenzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate, [2-(4-bromophenyl)-2-oxoethyl] 3-hydroxy-4-nitrobenzoate
| Molecular Formula | C15H10BrNO6 |
|---|---|
| Molecular Weight | 378.97 g/mol |
| LogP | 3.1026 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.96915 |
| Heavy Atoms | 23 |
| Complexity | 772.0366 |
Chemical Identifiers
| CAS Number | 312592-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])O)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate (CAS 312592-33-9), with molecular formula C15H10BrNO6 and molecular weight 378.97 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 3-hydroxy-4-nitrobenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate
The XLogP value of 3.1026 indicates that 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate has 1 hydrogen bond donor(s) and 6 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 3-hydroxy-4-nitrobenzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate is 312592-33-9.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate is C15H10BrNO6.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate is 378.97 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate 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 3-hydroxy-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 3-hydroxy-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.