N-benzyl-2-cyanoacetamide
TL;DR: N-benzyl-2-cyanoacetamide (CAS 946726-06-3) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-cyanoacetamide
Also Known As: N-benzyl-2-cyanoacetamide, benzylcyanoacetamide, n-benzylcyanoacetamide, N-Benzyl-2-cyano-acetamide, N-benzyl cyanoacetamide
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 946726-06-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CC#N |
| InChIKey | JQVMRGYDSQFFJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzyl-2-cyanoacetamide (CAS 946726-06-3), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: N-benzyl-2-cyanoacetamide.
Chemical Property Profile of N-benzyl-2-cyanoacetamide
Property Insights of N-benzyl-2-cyanoacetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-benzyl-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-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-benzyl-2-cyanoacetamide?
The CAS number of N-benzyl-2-cyanoacetamide is 946726-06-3.
What is the molecular formula of N-benzyl-2-cyanoacetamide?
The molecular formula of N-benzyl-2-cyanoacetamide is C10H10N2O.
What is the molecular weight of N-benzyl-2-cyanoacetamide?
The molecular weight of N-benzyl-2-cyanoacetamide is 174.08 g/mol.
Where can I buy N-benzyl-2-cyanoacetamide?
You can request a quote for N-benzyl-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-benzyl-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.