N-T-Butyl 2-bromobenzamide
TL;DR: N-T-Butyl 2-bromobenzamide (CAS 168265-57-4) 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.
2-bromo-N-tert-butylbenzamide
Also Known As: 2-Bromo-N-(tert-butyl)benzamide, N-T-BUTYL 2-BROMOBENZAMIDE, 2-bromo-N-tert-butylbenzamide, N-tert-butyl 2-bromobenzamide, 2-bromo-N-tert-butyl-benzamide
| Molecular Formula | C11H14BrNO |
|---|---|
| Molecular Weight | 255.03 g/mol |
| LogP | 2.0 |
| 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 | 168265-57-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=CC=C1Br |
| InChIKey | TVNDQPPEFATMSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-T-Butyl 2-bromobenzamide (CAS 168265-57-4), with molecular formula C11H14BrNO and molecular weight 255.03 g/mol. IUPAC: 2-bromo-N-tert-butylbenzamide.
Chemical Property Profile of N-T-Butyl 2-bromobenzamide
Property Insights of N-T-Butyl 2-bromobenzamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-T-Butyl 2-bromobenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-T-Butyl 2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-T-Butyl 2-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 2-bromobenzamide?
The CAS number of N-T-Butyl 2-bromobenzamide is 168265-57-4.
What is the molecular formula of N-T-Butyl 2-bromobenzamide?
The molecular formula of N-T-Butyl 2-bromobenzamide is C11H14BrNO.
What is the molecular weight of N-T-Butyl 2-bromobenzamide?
The molecular weight of N-T-Butyl 2-bromobenzamide is 255.03 g/mol.
Where can I buy N-T-Butyl 2-bromobenzamide?
You can request a quote for N-T-Butyl 2-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 2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-T-Butyl 2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.