n-Benzyl-4-bromobenzamide
TL;DR: n-Benzyl-4-bromobenzamide (CAS 40448-86-0) 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-4-bromobenzamide
Also Known As: n-benzyl-4-bromobenzamide, N-BENZYL 4-BROMOBENZAMIDE, N-Benzyl-4-bromo-benzamide, N-Benzyl-p-bromobenzamide, N-Benzyl(p-bromobenzamide)
| Molecular Formula | C14H12BrNO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 2.9 |
| 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 | 243.0 |
Chemical Identifiers
| CAS Number | 40448-86-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Br |
| InChIKey | RLXPLHLLCIBNAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Benzyl-4-bromobenzamide (CAS 40448-86-0), with molecular formula C14H12BrNO and molecular weight 289.01 g/mol. IUPAC: N-benzyl-4-bromobenzamide.
Chemical Property Profile of n-Benzyl-4-bromobenzamide
Property Insights of n-Benzyl-4-bromobenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzyl-4-bromobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, n-Benzyl-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Benzyl-4-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-4-bromobenzamide?
The CAS number of n-Benzyl-4-bromobenzamide is 40448-86-0.
What is the molecular formula of n-Benzyl-4-bromobenzamide?
The molecular formula of n-Benzyl-4-bromobenzamide is C14H12BrNO.
What is the molecular weight of n-Benzyl-4-bromobenzamide?
The molecular weight of n-Benzyl-4-bromobenzamide is 289.01 g/mol.
Where can I buy n-Benzyl-4-bromobenzamide?
You can request a quote for n-Benzyl-4-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-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-Benzyl-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.