4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile
TL;DR: 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile (CAS 87031-33-2) is a chemical compound with molecular formula C30H21N3O3 and molecular weight 471.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile
Also Known As: 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile, 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triph, 2~4~-(1-Methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-2~6~-phenyl[1~1~,2~1~:2~2~,3~1~-terphenyl]-2~1~(2~4~H)-carbonitrile
| Molecular Formula | C30H21N3O3 |
|---|---|
| Molecular Weight | 471.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.1583 |
| Heavy Atoms | 36 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 87031-33-2 |
|---|---|
| SMILES | CN1C(=O)C(=C2C=C(C(C(=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NC1=O |
| InChIKey | GEWYZVKFCXTYSZ-UHFFFAOYSA-N |
Product Overview
4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile (CAS 87031-33-2), with molecular formula C30H21N3O3 and molecular weight 471.16 g/mol. IUPAC: 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile.
Chemical Property Profile of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile
Property Insights of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile
The XLogP value of 4.0 indicates that 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile. Following Lipinski's Rule of Five, 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile 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 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile?
The CAS number of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile is 87031-33-2.
What is the molecular formula of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile?
The molecular formula of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile is C30H21N3O3.
What is the molecular weight of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile?
The molecular weight of 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile is 471.16 g/mol.
Where can I buy 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile?
You can request a quote for 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-1,2,6-triphenylcyclohexa-2,5-diene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.