![4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid structure](/static/products/4136/4136-08-7.webp)
4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid
TL;DR: 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid (CAS 4136-08-7) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
Also Known As: 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoic acid, 4-[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid, Benzoic acid,4-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 4136-08-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=CC(=O)NC2=O)C(=O)O |
| InChIKey | CZMAKWYBENYQFV-UHFFFAOYSA-N |
Product Overview
4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid (CAS 4136-08-7), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: 4-[(2,4-dioxopyrimidin-1-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid
Property Insights of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid has 2 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 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid?
The CAS number of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid is 4136-08-7.
What is the molecular formula of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid?
The molecular formula of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid is C12H10N2O4.
What is the molecular weight of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid?
The molecular weight of 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid is 246.06 g/mol.
Where can I buy 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid?
You can request a quote for 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.