N-t-Butylbenzamide
TL;DR: N-t-Butylbenzamide (CAS 5894-65-5) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butylbenzamide
Also Known As: N-tert-Butylbenzamide, N-(tert-butyl)benzamide, N-t-Butylbenzamide, Benzamide, N-tert-butyl-, N-t-butyl benzamide
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 5894-65-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1=CC=CC=C1 |
| InChIKey | HYWWTHOGCJXTRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-t-Butylbenzamide (CAS 5894-65-5), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: N-tert-butylbenzamide.
Chemical Property Profile of N-t-Butylbenzamide
Property Insights of N-t-Butylbenzamide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-t-Butylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-t-Butylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-t-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 N-t-Butylbenzamide?
The CAS number of N-t-Butylbenzamide is 5894-65-5.
What is the molecular formula of N-t-Butylbenzamide?
The molecular formula of N-t-Butylbenzamide is C11H15NO.
What is the molecular weight of N-t-Butylbenzamide?
The molecular weight of N-t-Butylbenzamide is 177.12 g/mol.
Where can I buy N-t-Butylbenzamide?
You can request a quote for N-t-Butylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-t-Butylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-t-Butylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.