(Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate
TL;DR: (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate (CAS 382650-29-5) is a chemical compound with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5Z)-3-benzyl-5-[[4-(diethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
Also Known As: (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate, methyl 2-[(5Z)-3-benzyl-5-[[4-(diethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetate, Methyl 2-[3-benzyl-5-[(4-diethylaminophenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
| Molecular Formula | C25H27N3O5 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 3.0802 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.19507 |
| Heavy Atoms | 33 |
| Complexity | 1059.2098 |
Chemical Identifiers
| CAS Number | 382650-29-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)N(C2=O)CC(=O)OC)CC3=CC=CC=C3 |
Product Overview
(Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate (CAS 382650-29-5), with molecular formula C25H27N3O5 and molecular weight 449.20 g/mol. IUPAC: methyl 2-[(5Z)-3-benzyl-5-[[4-(diethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]acetate.
Chemical Property Profile of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate
Property Insights of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate
The XLogP value of 3.0802 indicates that (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate. Following Lipinski's Rule of Five, (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate has 0 hydrogen bond donor(s) and 6 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 (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate?
The CAS number of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate is 382650-29-5.
What is the molecular formula of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate?
The molecular formula of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate is C25H27N3O5.
What is the molecular weight of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate?
The molecular weight of (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate is 449.20 g/mol.
Where can I buy (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate?
You can request a quote for (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(3-benzyl-5-(4-(diethylamino)benzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.