2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate
TL;DR: 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate (CAS 445-06-7) is a chemical compound with molecular formula C21H15BrO3 and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylphenyl)ethyl] 2-bromobenzoate
Also Known As: 2-(biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate, [2-oxo-2-(4-phenylphenyl)ethyl] 2-bromobenzoate, 2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 2-bromobenzoate, Ethanone, 2-(benzoyloxy)-1-[1,1 inverted exclamation mark(R)-biphenyl]-4-yl-
| Molecular Formula | C21H15BrO3 |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.02045 |
| Heavy Atoms | 25 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 445-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3Br |
| InChIKey | MVLOXGIPXFNCEQ-UHFFFAOYSA-N |
Product Overview
2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate (CAS 445-06-7), with molecular formula C21H15BrO3 and molecular weight 394.02 g/mol. IUPAC: [2-oxo-2-(4-phenylphenyl)ethyl] 2-bromobenzoate.
Chemical Property Profile of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate
Property Insights of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate
The XLogP value of 5.5 indicates that 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate?
The CAS number of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate is 445-06-7.
What is the molecular formula of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate?
The molecular formula of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate is C21H15BrO3.
What is the molecular weight of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate?
The molecular weight of 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate is 394.02 g/mol.
Where can I buy 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate?
You can request a quote for 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Biphenyl-4-yl)-2-oxoethyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.