4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347351-72-8) is a chemical compound with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, (4-methoxyphenyl)methyl 4-methyl-6-(4-nitrophenyl)-2-oxo-1,3,6-trihydropyrimid ine-5-carboxylate, (4-METHOXYPHENYL)METHYL 6-METHYL-4-(4-NITROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE, (4-methoxyphenyl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H19N3O6 |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 2.9747 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12738 |
| Heavy Atoms | 29 |
| Complexity | 966.716 |
Chemical Identifiers
| CAS Number | 347351-72-8 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=C(C=C3)OC |
Product Overview
4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 347351-72-8), with molecular formula C20H19N3O6 and molecular weight 397.13 g/mol. IUPAC: (4-methoxyphenyl)methyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 2.9747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 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 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 347351-72-8.
What is the molecular formula of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C20H19N3O6.
What is the molecular weight of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 397.13 g/mol.
Where can I buy 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-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 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxybenzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.