4-bromo-N-tert-butylbenzamide
TL;DR: 4-bromo-N-tert-butylbenzamide (CAS 42498-38-4) is a chemical compound with molecular formula C11H14BrNO and molecular weight 255.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-tert-butylbenzamide
Also Known As: 4-bromo-N-tert-butylbenzamide, 4-Bromo-N-(tert-butyl)benzamide, N-t-Butyl 4-bromobenzamide, 4-Bromo-N-(1,1-dimethylethyl)benzamide, N-tert-butyl 4-bromobenzamide
| Molecular Formula | C11H14BrNO |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02588 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 42498-38-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=C(C=C1)Br |
| InChIKey | FZMGMDLGMVXWCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-bromo-N-tert-butylbenzamide (CAS 42498-38-4), with molecular formula C11H14BrNO and molecular weight 255.03 g/mol. IUPAC: 4-bromo-N-tert-butylbenzamide.
Chemical Property Profile of 4-bromo-N-tert-butylbenzamide
Property Insights of 4-bromo-N-tert-butylbenzamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-tert-butylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 4-bromo-N-tert-butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-tert-butylbenzamide 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 4-bromo-N-tert-butylbenzamide?
The CAS number of 4-bromo-N-tert-butylbenzamide is 42498-38-4.
What is the molecular formula of 4-bromo-N-tert-butylbenzamide?
The molecular formula of 4-bromo-N-tert-butylbenzamide is C11H14BrNO.
What is the molecular weight of 4-bromo-N-tert-butylbenzamide?
The molecular weight of 4-bromo-N-tert-butylbenzamide is 255.03 g/mol.
Where can I buy 4-bromo-N-tert-butylbenzamide?
You can request a quote for 4-bromo-N-tert-butylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-tert-butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-tert-butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.