N-(3-oxobutyl)benzamide
TL;DR: N-(3-oxobutyl)benzamide (CAS 71666-56-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-oxobutyl)benzamide
Also Known As: N-(3-oxobutyl)benzamide, Benzamide, N-(3-oxobutyl)-
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.3955 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 319.31924 |
Chemical Identifiers
| CAS Number | 71666-56-3 |
|---|---|
| SMILES | CC(=O)CCNC(=O)C1=CC=CC=C1 |
Product Overview
N-(3-oxobutyl)benzamide (CAS 71666-56-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: N-(3-oxobutyl)benzamide.
Chemical Property Profile of N-(3-oxobutyl)benzamide
Property Insights of N-(3-oxobutyl)benzamide
The XLogP value of 1.3955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-oxobutyl)benzamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3-oxobutyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-oxobutyl)benzamide has 1 hydrogen bond donor(s) and 2 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-(3-oxobutyl)benzamide?
The CAS number of N-(3-oxobutyl)benzamide is 71666-56-3.
What is the molecular formula of N-(3-oxobutyl)benzamide?
The molecular formula of N-(3-oxobutyl)benzamide is C11H13NO2.
What is the molecular weight of N-(3-oxobutyl)benzamide?
The molecular weight of N-(3-oxobutyl)benzamide is 191.09 g/mol.
Where can I buy N-(3-oxobutyl)benzamide?
You can request a quote for N-(3-oxobutyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-oxobutyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-oxobutyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.