![6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea structure](/static/products/401/401466-77-1.png)
6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea
TL;DR: 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea (CAS 401466-77-1) is a chemical compound with molecular formula C21H28N4O7 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea
Also Known As: 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea, (Z)-1-(6-(2,4,6-trioxo-5-(3,4,5-trimethoxybenzylidene)tetrahydropyrimidin-1(2H)-yl)hexyl)urea, 6-[(5Z)-2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea
| Molecular Formula | C21H28N4O7 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 1.4029 |
| Topological Polar Surface Area | 149.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 448.1958 |
| Heavy Atoms | 32 |
| Complexity | 888.4044 |
Chemical Identifiers
| CAS Number | 401466-77-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)NC(=O)N(C2=O)CCCCCCNC(=O)N |
Product Overview
6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea (CAS 401466-77-1), with molecular formula C21H28N4O7 and molecular weight 448.20 g/mol. IUPAC: 6-[(5Z)-2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea.
Chemical Property Profile of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea
Property Insights of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea
The XLogP value of 1.4029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea. The TPSA of 149.29 Ų indicates high polarity, suggesting 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea has 3 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 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea?
The CAS number of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea is 401466-77-1.
What is the molecular formula of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea?
The molecular formula of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea is C21H28N4O7.
What is the molecular weight of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea?
The molecular weight of 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea is 448.20 g/mol.
Where can I buy 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea?
You can request a quote for 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea?
Yes, KEHONG BIO provides custom synthesis services for 6-[2,4,6-trioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]hexylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.