N-(sec-butyl)benzamide
TL;DR: N-(sec-butyl)benzamide (CAS 879-71-0) 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-butan-2-ylbenzamide
Also Known As: N-(sec-butyl)benzamide, N-butan-2-ylbenzamide, n-sec-butylbenzamide, N-s-butyl benzamide, N-(butan-2-yl)benzamide
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 879-71-0 |
|---|---|
| SMILES | CCC(C)NC(=O)C1=CC=CC=C1 |
| InChIKey | WSCVMXQGRHTYEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(sec-butyl)benzamide (CAS 879-71-0), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: N-butan-2-ylbenzamide.
Chemical Property Profile of N-(sec-butyl)benzamide
Property Insights of N-(sec-butyl)benzamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(sec-butyl)benzamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(sec-butyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(sec-butyl)benzamide 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-(sec-butyl)benzamide?
The CAS number of N-(sec-butyl)benzamide is 879-71-0.
What is the molecular formula of N-(sec-butyl)benzamide?
The molecular formula of N-(sec-butyl)benzamide is C11H15NO.
What is the molecular weight of N-(sec-butyl)benzamide?
The molecular weight of N-(sec-butyl)benzamide is 177.12 g/mol.
Where can I buy N-(sec-butyl)benzamide?
You can request a quote for N-(sec-butyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(sec-butyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(sec-butyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.