![2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate structure](/static/products/1104/110449-07-5.webp)
2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate
TL;DR: 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate (CAS 110449-07-5) is a chemical compound with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] acetate
Also Known As: 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate, 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl acetate, [2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] acetate, [2-[(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] acetate, 2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenylacetate
| Molecular Formula | C15H14N2O5 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 1.0457 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.09027 |
| Heavy Atoms | 22 |
| Complexity | 681.6393 |
Chemical Identifiers
| CAS Number | 110449-07-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C=C2C(=O)N(C(=O)N(C2=O)C)C |
Product Overview
2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate (CAS 110449-07-5), with molecular formula C15H14N2O5 and molecular weight 302.09 g/mol. IUPAC: [2-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate
Property Insights of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate
The XLogP value of 1.0457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate. Following Lipinski's Rule of Five, 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate has 0 hydrogen bond donor(s) and 5 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 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate?
The CAS number of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate is 110449-07-5.
What is the molecular formula of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate?
The molecular formula of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate is C15H14N2O5.
What is the molecular weight of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate?
The molecular weight of 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate is 302.09 g/mol.
Where can I buy 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate?
You can request a quote for 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.