2-cyano-N-(4-phenylbutyl)acetamide
TL;DR: 2-cyano-N-(4-phenylbutyl)acetamide (CAS 133550-40-0) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(4-phenylbutyl)acetamide
Also Known As: 2-cyano-N-(4-phenylbutyl)acetamide, N-(4-phenylbutyl)cyanoacetamide, Acetamide, 2-cyano-N-(4-phenylbutyl)-, 2-cyano-n-(4-phenylbutyl)-acetamide
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.03918 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 353.94537 |
Chemical Identifiers
| CAS Number | 133550-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCNC(=O)CC#N |
Product Overview
2-cyano-N-(4-phenylbutyl)acetamide (CAS 133550-40-0), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2-cyano-N-(4-phenylbutyl)acetamide.
Chemical Property Profile of 2-cyano-N-(4-phenylbutyl)acetamide
Property Insights of 2-cyano-N-(4-phenylbutyl)acetamide
The XLogP value of 2.03918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(4-phenylbutyl)acetamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-cyano-N-(4-phenylbutyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(4-phenylbutyl)acetamide 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 2-cyano-N-(4-phenylbutyl)acetamide?
The CAS number of 2-cyano-N-(4-phenylbutyl)acetamide is 133550-40-0.
What is the molecular formula of 2-cyano-N-(4-phenylbutyl)acetamide?
The molecular formula of 2-cyano-N-(4-phenylbutyl)acetamide is C13H16N2O.
What is the molecular weight of 2-cyano-N-(4-phenylbutyl)acetamide?
The molecular weight of 2-cyano-N-(4-phenylbutyl)acetamide is 216.13 g/mol.
Where can I buy 2-cyano-N-(4-phenylbutyl)acetamide?
You can request a quote for 2-cyano-N-(4-phenylbutyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(4-phenylbutyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(4-phenylbutyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.