methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
TL;DR: methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 90007-75-3) is a chemical compound with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate, methyl 3-(2,4-dioxopyrimidin-1-yl)propanoate, 3-(Uracil-1-yl)propanoic acid methyl ester, VU0608723-1, L-2553
| Molecular Formula | C8H10N2O4 |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | -0.9003 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06406 |
| Heavy Atoms | 14 |
| Complexity | 431.45767 |
Chemical Identifiers
| CAS Number | 90007-75-3 |
|---|---|
| SMILES | COC(=O)CCN1C=CC(=O)NC1=O |
Product Overview
methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 90007-75-3), with molecular formula C8H10N2O4 and molecular weight 198.06 g/mol. IUPAC: methyl 3-(2,4-dioxopyrimidin-1-yl)propanoate.
Chemical Property Profile of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
Property Insights of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
The XLogP value of -0.9003 indicates that methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate 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 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The CAS number of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 90007-75-3.
What is the molecular formula of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular formula of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is C8H10N2O4.
What is the molecular weight of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular weight of methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 198.06 g/mol.
Where can I buy methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
You can request a quote for methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.