N-(cyanomethyl)-3,4-dimethoxybenzamide
TL;DR: N-(cyanomethyl)-3,4-dimethoxybenzamide (CAS 333347-69-6) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-3,4-dimethoxybenzamide
Also Known As: N-(cyanomethyl)-3,4-dimethoxybenzamide, N-Cyanomethyl-3,4-dimethoxy-benzamide, BAS 00783982, (3,4-dimethoxyphenyl)-N-(cyanomethyl)carboxamide
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 0.95718 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 423.72812 |
Chemical Identifiers
| CAS Number | 333347-69-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC#N)OC |
Product Overview
N-(cyanomethyl)-3,4-dimethoxybenzamide (CAS 333347-69-6), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: N-(cyanomethyl)-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(cyanomethyl)-3,4-dimethoxybenzamide
Property Insights of N-(cyanomethyl)-3,4-dimethoxybenzamide
The XLogP value of 0.95718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-3,4-dimethoxybenzamide. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(cyanomethyl)-3,4-dimethoxybenzamide has 1 hydrogen bond donor(s) and 4 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-dimethoxybenzamide?
The CAS number of N-(cyanomethyl)-3,4-dimethoxybenzamide is 333347-69-6.
What is the molecular formula of N-(cyanomethyl)-3,4-dimethoxybenzamide?
The molecular formula of N-(cyanomethyl)-3,4-dimethoxybenzamide is C11H12N2O3.
What is the molecular weight of N-(cyanomethyl)-3,4-dimethoxybenzamide?
The molecular weight of N-(cyanomethyl)-3,4-dimethoxybenzamide is 220.08 g/mol.
Where can I buy N-(cyanomethyl)-3,4-dimethoxybenzamide?
You can request a quote for N-(cyanomethyl)-3,4-dimethoxybenzamide 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-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.