N-Benzyl-butyramide
TL;DR: N-Benzyl-butyramide (CAS 4064-93-1) 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-benzylbutanamide
Also Known As: n-benzylbutanamide, N-Benzylbutyramide, n-benzyl-butyramide, N-benzylbutyrylamide, Butyramide, N-benzyl-
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 4064-93-1 |
|---|---|
| SMILES | CCCC(=O)NCC1=CC=CC=C1 |
| InChIKey | OHWQEBAVEDXXDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyl-butyramide (CAS 4064-93-1), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: N-benzylbutanamide.
Chemical Property Profile of N-Benzyl-butyramide
Property Insights of N-Benzyl-butyramide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-butyramide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Benzyl-butyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-butyramide 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-Benzyl-butyramide?
The CAS number of N-Benzyl-butyramide is 4064-93-1.
What is the molecular formula of N-Benzyl-butyramide?
The molecular formula of N-Benzyl-butyramide is C11H15NO.
What is the molecular weight of N-Benzyl-butyramide?
The molecular weight of N-Benzyl-butyramide is 177.12 g/mol.
Where can I buy N-Benzyl-butyramide?
You can request a quote for N-Benzyl-butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.