n-Butyl-2-cyanoacetamide
TL;DR: n-Butyl-2-cyanoacetamide (CAS 42832-47-3) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-cyanoacetamide
Also Known As: n-butyl-2-cyanoacetamide, N-Butyl-2-cyano-acetamide, N1-butyl-2-cyanoacetamide, N-n-butyl-2-cyanoacetamide, NCIOpen2_000718
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 42832-47-3 |
|---|---|
| SMILES | CCCCNC(=O)CC#N |
| InChIKey | MGZNARROBKPUST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl-2-cyanoacetamide (CAS 42832-47-3), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: N-butyl-2-cyanoacetamide.
Chemical Property Profile of n-Butyl-2-cyanoacetamide
Property Insights of n-Butyl-2-cyanoacetamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, n-Butyl-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl-2-cyanoacetamide 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-Butyl-2-cyanoacetamide?
The CAS number of n-Butyl-2-cyanoacetamide is 42832-47-3.
What is the molecular formula of n-Butyl-2-cyanoacetamide?
The molecular formula of n-Butyl-2-cyanoacetamide is C7H12N2O.
What is the molecular weight of n-Butyl-2-cyanoacetamide?
The molecular weight of n-Butyl-2-cyanoacetamide is 140.09 g/mol.
Where can I buy n-Butyl-2-cyanoacetamide?
You can request a quote for n-Butyl-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.