N-benzyl-2-bromobenzamide
TL;DR: N-benzyl-2-bromobenzamide (CAS 82082-50-6) is a chemical compound with molecular formula C14H12BrNO and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-bromobenzamide
Also Known As: N-benzyl-2-bromobenzamide, N-Benzyl 2-bromobenzamide, N-Benzyl2-bromobenzamide, 2-Bromo-N-benzylbenzamide, N-benzyl-2-bromo-benzamide
| Molecular Formula | C14H12BrNO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.01022 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 82082-50-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2Br |
| InChIKey | PUIYIJWJYXUFGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-2-bromobenzamide (CAS 82082-50-6), with molecular formula C14H12BrNO and molecular weight 289.01 g/mol. IUPAC: N-benzyl-2-bromobenzamide.
Chemical Property Profile of N-benzyl-2-bromobenzamide
Property Insights of N-benzyl-2-bromobenzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-bromobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-benzyl-2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-bromobenzamide has 1 hydrogen bond donor(s) and 1 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 N-benzyl-2-bromobenzamide?
The CAS number of N-benzyl-2-bromobenzamide is 82082-50-6.
What is the molecular formula of N-benzyl-2-bromobenzamide?
The molecular formula of N-benzyl-2-bromobenzamide is C14H12BrNO.
What is the molecular weight of N-benzyl-2-bromobenzamide?
The molecular weight of N-benzyl-2-bromobenzamide is 289.01 g/mol.
Where can I buy N-benzyl-2-bromobenzamide?
You can request a quote for N-benzyl-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.