2-(Anilinocarbonyl)phenyl 4-bromobenzoate
TL;DR: 2-(Anilinocarbonyl)phenyl 4-bromobenzoate (CAS 431980-72-2) is a chemical compound with molecular formula C20H14BrNO3 and molecular weight 395.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(phenylcarbamoyl)phenyl] 4-bromobenzoate
Also Known As: 2-(anilinocarbonyl)phenyl 4-bromobenzoate, [2-(phenylcarbamoyl)phenyl] 4-bromobenzoate, 2-(N-phenylcarbamoyl)phenyl 4-bromobenzoate, 2-(PHENYLCARBAMOYL)PHENYL 4-BROMOBENZOATE, AN-652/40706057
| Molecular Formula | C20H14BrNO3 |
|---|---|
| Molecular Weight | 395.02 g/mol |
| LogP | 4.9206 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.01572 |
| Heavy Atoms | 25 |
| Complexity | 892.3295 |
Chemical Identifiers
| CAS Number | 431980-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(Anilinocarbonyl)phenyl 4-bromobenzoate (CAS 431980-72-2), with molecular formula C20H14BrNO3 and molecular weight 395.02 g/mol. IUPAC: [2-(phenylcarbamoyl)phenyl] 4-bromobenzoate.
Chemical Property Profile of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate
Property Insights of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate
The XLogP value of 4.9206 indicates that 2-(Anilinocarbonyl)phenyl 4-bromobenzoate 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-(Anilinocarbonyl)phenyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Anilinocarbonyl)phenyl 4-bromobenzoate 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-(Anilinocarbonyl)phenyl 4-bromobenzoate?
The CAS number of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate is 431980-72-2.
What is the molecular formula of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate?
The molecular formula of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate is C20H14BrNO3.
What is the molecular weight of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate?
The molecular weight of 2-(Anilinocarbonyl)phenyl 4-bromobenzoate is 395.02 g/mol.
Where can I buy 2-(Anilinocarbonyl)phenyl 4-bromobenzoate?
You can request a quote for 2-(Anilinocarbonyl)phenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Anilinocarbonyl)phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Anilinocarbonyl)phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.