N-(cyanomethyl)-3,4,5-trimethoxybenzamide
TL;DR: N-(cyanomethyl)-3,4,5-trimethoxybenzamide (CAS 56593-75-0) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(cyanomethyl)-3,4,5-trimethoxybenzamide, 3,4,5-trimethoxybenzamidoacetonitrile, BAS 01130440, N-Cyanomethyl-3,4,5-trimethoxy-benzamide, AI-204/31730010
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 0.96578 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 454.45114 |
Chemical Identifiers
| CAS Number | 56593-75-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NCC#N |
Product Overview
N-(cyanomethyl)-3,4,5-trimethoxybenzamide (CAS 56593-75-0), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: N-(cyanomethyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(cyanomethyl)-3,4,5-trimethoxybenzamide
Property Insights of N-(cyanomethyl)-3,4,5-trimethoxybenzamide
The XLogP value of 0.96578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-3,4,5-trimethoxybenzamide. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 5 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-(cyanomethyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(cyanomethyl)-3,4,5-trimethoxybenzamide is 56593-75-0.
What is the molecular formula of N-(cyanomethyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(cyanomethyl)-3,4,5-trimethoxybenzamide is C12H14N2O4.
What is the molecular weight of N-(cyanomethyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(cyanomethyl)-3,4,5-trimethoxybenzamide is 250.10 g/mol.
Where can I buy N-(cyanomethyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(cyanomethyl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.