N-(3-cyanophenyl)butyramide
TL;DR: N-(3-cyanophenyl)butyramide (CAS 356100-66-8) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyanophenyl)butanamide
Also Known As: 3-butyrylamino-benzonitrile, N-(3-cyanophenyl)butanamide, N-(3-cyanophenyl)butyramide
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 2.29688 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 365.79544 |
Chemical Identifiers
| CAS Number | 356100-66-8 |
|---|---|
| SMILES | CCCC(=O)NC1=CC=CC(=C1)C#N |
Product Overview
N-(3-cyanophenyl)butyramide (CAS 356100-66-8), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: N-(3-cyanophenyl)butanamide.
Chemical Property Profile of N-(3-cyanophenyl)butyramide
Property Insights of N-(3-cyanophenyl)butyramide
The XLogP value of 2.29688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyanophenyl)butyramide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyanophenyl)butyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyanophenyl)butyramide 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-cyanophenyl)butyramide?
The CAS number of N-(3-cyanophenyl)butyramide is 356100-66-8.
What is the molecular formula of N-(3-cyanophenyl)butyramide?
The molecular formula of N-(3-cyanophenyl)butyramide is C11H12N2O.
What is the molecular weight of N-(3-cyanophenyl)butyramide?
The molecular weight of N-(3-cyanophenyl)butyramide is 188.09 g/mol.
Where can I buy N-(3-cyanophenyl)butyramide?
You can request a quote for N-(3-cyanophenyl)butyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyanophenyl)butyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyanophenyl)butyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.