4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate
TL;DR: 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate (CAS 445287-59-2) is a chemical compound with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-methoxyphenyl] acetate
Also Known As: 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate, [4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-methoxyphenyl] acetate, 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl)-5-bromo-2-methoxyphenyl acetate
| Molecular Formula | C16H17BrN2O5 |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | 2.5999 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.03207 |
| Heavy Atoms | 24 |
| Complexity | 757.07983 |
Chemical Identifiers
| CAS Number | 445287-59-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2Br)OC(=O)C)OC)C(=O)C |
Product Overview
4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate (CAS 445287-59-2), with molecular formula C16H17BrN2O5 and molecular weight 396.03 g/mol. IUPAC: [4-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-5-bromo-2-methoxyphenyl] acetate.
Chemical Property Profile of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate
Property Insights of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate
The XLogP value of 2.5999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate has 2 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 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate?
The CAS number of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate is 445287-59-2.
What is the molecular formula of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate?
The molecular formula of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate is C16H17BrN2O5.
What is the molecular weight of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate?
The molecular weight of 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate is 396.03 g/mol.
Where can I buy 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate?
You can request a quote for 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-acetyl-6-methyl-2-oxo-1,2,3,4-tetrahydro-4-pyrimidinyl)-5-bromo-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.