2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate
TL;DR: 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate (CAS 7471-29-6) is a chemical compound with molecular formula C15H10BrNO5 and molecular weight 362.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 3-nitrobenzoate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate, UPCMLD0ENAT5961901:001, [2-(4-bromophenyl)-2-oxoethyl] 3-nitrobenzoate, BIM-0016556.P001, AB00079677-01
| Molecular Formula | C15H10BrNO5 |
|---|---|
| Molecular Weight | 362.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.97424 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 7471-29-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)Br |
| InChIKey | FDDBUQYYGLVAFU-UHFFFAOYSA-N |
Product Overview
2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate (CAS 7471-29-6), with molecular formula C15H10BrNO5 and molecular weight 362.97 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 3-nitrobenzoate.
Chemical Property Profile of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate
Property Insights of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate
The XLogP value of 3.7 indicates that 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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-nitrobenzoate?
The CAS number of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate is 7471-29-6.
What is the molecular formula of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate?
The molecular formula of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate is C15H10BrNO5.
What is the molecular weight of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate?
The molecular weight of 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate is 362.97 g/mol.
Where can I buy 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate?
You can request a quote for 2-(4-bromophenyl)-2-oxoethyl 3-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-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-2-oxoethyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.