![Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate structure](/static/products/4113/4113-95-5.webp)
Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate
TL;DR: Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate (CAS 4113-95-5) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate
Also Known As: NCIOpen2_006445, methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate, methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate, Benzoic acid,4-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-, methyl ester
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 4113-95-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C=CC(=O)NC2=O |
| InChIKey | MCDYZLDVCBRFNY-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate (CAS 4113-95-5), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: methyl 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoate.
Chemical Property Profile of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate
Property Insights of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate has 1 hydrogen bond donor(s) and 4 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-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate?
The CAS number of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate is 4113-95-5.
What is the molecular formula of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate?
The molecular formula of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate is C13H12N2O4.
What is the molecular weight of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate?
The molecular weight of Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate is 260.08 g/mol.
Where can I buy Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate?
You can request a quote for Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.