3-bromo-N-(tert-butyl)-4-methylbenzamide
TL;DR: 3-bromo-N-(tert-butyl)-4-methylbenzamide (CAS 444057-96-9) is a chemical compound with molecular formula C12H16BrNO and molecular weight 269.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-tert-butyl-4-methylbenzamide
Also Known As: 3-bromo-N-tert-butyl-4-methylbenzamide, 3-bromo-4-methyl-N-tert-butyl-benzamide, 3-bromo-N-(tert-butyl)-4-methylbenzamide
| Molecular Formula | C12H16BrNO |
|---|---|
| Molecular Weight | 269.04 g/mol |
| LogP | 3.28582 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.04153 |
| Heavy Atoms | 15 |
| Complexity | 379.69876 |
Chemical Identifiers
| CAS Number | 444057-96-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(C)(C)C)Br |
Product Overview
3-bromo-N-(tert-butyl)-4-methylbenzamide (CAS 444057-96-9), with molecular formula C12H16BrNO and molecular weight 269.04 g/mol. IUPAC: 3-bromo-N-tert-butyl-4-methylbenzamide.
Chemical Property Profile of 3-bromo-N-(tert-butyl)-4-methylbenzamide
Property Insights of 3-bromo-N-(tert-butyl)-4-methylbenzamide
The XLogP value of 3.28582 indicates that 3-bromo-N-(tert-butyl)-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-bromo-N-(tert-butyl)-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(tert-butyl)-4-methylbenzamide 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 3-bromo-N-(tert-butyl)-4-methylbenzamide?
The CAS number of 3-bromo-N-(tert-butyl)-4-methylbenzamide is 444057-96-9.
What is the molecular formula of 3-bromo-N-(tert-butyl)-4-methylbenzamide?
The molecular formula of 3-bromo-N-(tert-butyl)-4-methylbenzamide is C12H16BrNO.
What is the molecular weight of 3-bromo-N-(tert-butyl)-4-methylbenzamide?
The molecular weight of 3-bromo-N-(tert-butyl)-4-methylbenzamide is 269.04 g/mol.
Where can I buy 3-bromo-N-(tert-butyl)-4-methylbenzamide?
You can request a quote for 3-bromo-N-(tert-butyl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(tert-butyl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(tert-butyl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.