![2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile structure](/static/products/3204/320422-95-5.webp)
2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
TL;DR: 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile (CAS 320422-95-5) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetonitrile
Also Known As: 2-[3-(4-methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile, 2-{3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetonitrile, 12M-027, 2-[3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetonitrile, 2-3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinylacetonitrile
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 0.50958 |
| Topological Polar Surface Area | 90.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 603.0374 |
Chemical Identifiers
| CAS Number | 320422-95-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C(=O)N(C2=O)CC#N |
Product Overview
2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile (CAS 320422-95-5), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: 2-[3-[(4-methoxyphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetonitrile.
Chemical Property Profile of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
Property Insights of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile
The XLogP value of 0.50958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile. The TPSA of 90.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile. Following Lipinski's Rule of Five, 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile has 0 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 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile?
The CAS number of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile is 320422-95-5.
What is the molecular formula of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile?
The molecular formula of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile is C13H11N3O4.
What is the molecular weight of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile?
The molecular weight of 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile is 273.07 g/mol.
Where can I buy 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile?
You can request a quote for 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Methoxybenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.