![2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile structure](/static/products/355/355000-34-9.png)
2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile
TL;DR: 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile (CAS 355000-34-9) is a chemical compound with molecular formula C31H30BrN3O5 and molecular weight 603.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile
Also Known As: 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile, 2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile, {2-bromo-6-ethoxy-4-[(Z)-{2,4,6-trioxo-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetonitrile
| Molecular Formula | C31H30BrN3O5 |
|---|---|
| Molecular Weight | 603.14 g/mol |
| LogP | 5.88438 |
| Topological Polar Surface Area | 108.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 603.1369 |
| Heavy Atoms | 40 |
| Complexity | 1423.2654 |
Chemical Identifiers
| CAS Number | 355000-34-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)Br)OCC#N |
Product Overview
2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile (CAS 355000-34-9), with molecular formula C31H30BrN3O5 and molecular weight 603.14 g/mol. IUPAC: 2-[4-[(Z)-[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-bromo-6-ethoxyphenoxy]acetonitrile.
Chemical Property Profile of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile
Property Insights of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile
The XLogP value of 5.88438 indicates that 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile. Following Lipinski's Rule of Five, 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile?
The CAS number of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile is 355000-34-9.
What is the molecular formula of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile?
The molecular formula of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile is C31H30BrN3O5.
What is the molecular weight of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile?
The molecular weight of 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile is 603.14 g/mol.
Where can I buy 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile?
You can request a quote for 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-{[1-[4-(1-adamantyl)phenyl]-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}-2-bromo-6-ethoxyphenoxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.