![N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide structure](/static/products/5532/55329-67-4.webp)
N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide
TL;DR: N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide (CAS 55329-67-4) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide
Also Known As: N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide, 2.4-Bis(cyanomethyl)-5-methyl-N-acetylbenzylamin, N-[[2,4-BIS(CYANOMETHYL)-5-METHYL-PHENYL]METHYL]ACETAMIDE, N-{[2,4-BIS(CYANOMETHYL)-5-METHYLPHENYL]METHYL}ACETAMIDE
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55329-67-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CC#N)CC#N)CNC(=O)C |
| InChIKey | LGAMTLQISHKCDD-UHFFFAOYSA-N |
Product Overview
N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide (CAS 55329-67-4), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide.
Chemical Property Profile of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide
Property Insights of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide. Following Lipinski's Rule of Five, N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide has 1 hydrogen bond donor(s) and 3 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-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide?
The CAS number of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide is 55329-67-4.
What is the molecular formula of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide?
The molecular formula of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide is C14H15N3O.
What is the molecular weight of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide?
The molecular weight of N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide is 241.12 g/mol.
Where can I buy N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide?
You can request a quote for N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2,4-Bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.