N-(3-bromophenyl)-4-tert-butylbenzamide
TL;DR: N-(3-bromophenyl)-4-tert-butylbenzamide (CAS 304672-89-7) is a chemical compound with molecular formula C17H18BrNO and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-4-tert-butylbenzamide
Also Known As: N-(3-bromophenyl)-4-tert-butylbenzamide, BIM-0026498.P001, AO-548/11453387, [4-(tert-butyl)phenyl]-N-(3-bromophenyl)carboxamide
| Molecular Formula | C17H18BrNO |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0572 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 304672-89-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Br |
| InChIKey | ZXUFWXHZCWBUGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-bromophenyl)-4-tert-butylbenzamide (CAS 304672-89-7), with molecular formula C17H18BrNO and molecular weight 331.06 g/mol. IUPAC: N-(3-bromophenyl)-4-tert-butylbenzamide.
Chemical Property Profile of N-(3-bromophenyl)-4-tert-butylbenzamide
Property Insights of N-(3-bromophenyl)-4-tert-butylbenzamide
The XLogP value of 5.1 indicates that N-(3-bromophenyl)-4-tert-butylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(3-bromophenyl)-4-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromophenyl)-4-tert-butylbenzamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-bromophenyl)-4-tert-butylbenzamide?
The CAS number of N-(3-bromophenyl)-4-tert-butylbenzamide is 304672-89-7.
What is the molecular formula of N-(3-bromophenyl)-4-tert-butylbenzamide?
The molecular formula of N-(3-bromophenyl)-4-tert-butylbenzamide is C17H18BrNO.
What is the molecular weight of N-(3-bromophenyl)-4-tert-butylbenzamide?
The molecular weight of N-(3-bromophenyl)-4-tert-butylbenzamide is 331.06 g/mol.
Where can I buy N-(3-bromophenyl)-4-tert-butylbenzamide?
You can request a quote for N-(3-bromophenyl)-4-tert-butylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromophenyl)-4-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromophenyl)-4-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.