N-t-Butyl 3-bromobenzamide
TL;DR: N-t-Butyl 3-bromobenzamide (CAS 42498-39-5) 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.
3-bromo-N-tert-butylbenzamide
Also Known As: N-t-Butyl 3-bromobenzamide, 3-Bromo-N-(tert-butyl)benzamide, 3-bromo-N-tert-butylbenzamide, 3-Bromo-N-tert-butyl-benzamide, N-tert-butyl 3-bromobenzamide
| Molecular Formula | C11H14BrNO |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 3.0 |
| 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 | 210.0 |
Chemical Identifiers
| CAS Number | 42498-39-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC(=CC=C1)Br |
| InChIKey | RCANCXBUPLNOOD-UHFFFAOYSA-N |
Product Overview
N-t-Butyl 3-bromobenzamide (CAS 42498-39-5), with molecular formula C11H14BrNO and molecular weight 255.03 g/mol. IUPAC: 3-bromo-N-tert-butylbenzamide.
Chemical Property Profile of N-t-Butyl 3-bromobenzamide
Property Insights of N-t-Butyl 3-bromobenzamide
The XLogP value of 3.0 indicates that N-t-Butyl 3-bromobenzamide 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-t-Butyl 3-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-t-Butyl 3-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-t-Butyl 3-bromobenzamide?
The CAS number of N-t-Butyl 3-bromobenzamide is 42498-39-5.
What is the molecular formula of N-t-Butyl 3-bromobenzamide?
The molecular formula of N-t-Butyl 3-bromobenzamide is C11H14BrNO.
What is the molecular weight of N-t-Butyl 3-bromobenzamide?
The molecular weight of N-t-Butyl 3-bromobenzamide is 255.03 g/mol.
Where can I buy N-t-Butyl 3-bromobenzamide?
You can request a quote for N-t-Butyl 3-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-t-Butyl 3-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-t-Butyl 3-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.