methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347353-29-1) is a chemical compound with molecular formula C16H19BrN2O5 and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(4-bromo-2,5-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A2563/0109220, methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 6-(4-bromo-2,5-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,3,6-trihydropyrimi dine-5-carboxylate, methyl 6-(4-bromo-2,5-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19BrN2O5 |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 2.6094 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.04773 |
| Heavy Atoms | 24 |
| Complexity | 716.6645 |
Chemical Identifiers
| CAS Number | 347353-29-1 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2OC)Br)OC)C(=O)OC |
Product Overview
methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347353-29-1), with molecular formula C16H19BrN2O5 and molecular weight 398.05 g/mol. IUPAC: methyl 6-(4-bromo-2,5-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.6094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 1 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 methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 347353-29-1.
What is the molecular formula of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C16H19BrN2O5.
What is the molecular weight of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 398.05 g/mol.
Where can I buy methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-bromo-2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.