![{4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile structure](/static/products/900/900286-71-7.png)
{4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile
TL;DR: {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile (CAS 900286-71-7) is a chemical compound with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy]acetonitrile
Also Known As: {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile, 2-(4-(7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)-2-methoxyphenoxy)acetonitrile, 2-[4-[8-(2,6-dimethylphenyl)-7,9-dioxo-4-oxa-3,8-diazaspiro[4.4]non-2-en-2-yl]-2-methoxyphenoxy]acetonitrile
| Molecular Formula | C23H21N3O5 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 3.04112 |
| Topological Polar Surface Area | 101.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.14813 |
| Heavy Atoms | 31 |
| Complexity | 1130.1364 |
Chemical Identifiers
| CAS Number | 900286-71-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=O)CC3(C2=O)CC(=NO3)C4=CC(=C(C=C4)OCC#N)OC |
Product Overview
{4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile (CAS 900286-71-7), with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol. IUPAC: 2-[4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy]acetonitrile.
Chemical Property Profile of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile
Property Insights of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile
The XLogP value of 3.04112 indicates that {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.22 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile. Following Lipinski's Rule of Five, {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile has 0 hydrogen bond donor(s) and 7 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 {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile?
The CAS number of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile is 900286-71-7.
What is the molecular formula of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile?
The molecular formula of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile is C23H21N3O5.
What is the molecular weight of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile?
The molecular weight of {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile is 419.15 g/mol.
Where can I buy {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile?
You can request a quote for {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {4-[7-(2,6-dimethylphenyl)-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]-2-methoxyphenoxy}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.