(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
TL;DR: (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid (CAS 7114-42-3) is a chemical compound with molecular formula C4H5BN2O4 and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-pyrimidin-5-yl)boronic acid
Also Known As: URACIL-5-BORONIC ACID, Rotraxate, t6mvmvj ebqq[wln], (2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid, 5-dihydroxyboryluracil
| Molecular Formula | C4H5BN2O4 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | -3.257 |
| Topological Polar Surface Area | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03424 |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7114-42-3 |
|---|---|
| SMILES | B(C1=CNC(=O)NC1=O)(O)O |
| InChIKey | PVEJOCQTIVCDNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid (CAS 7114-42-3), with molecular formula C4H5BN2O4 and molecular weight 156.03 g/mol. IUPAC: (2,4-dioxo-1H-pyrimidin-5-yl)boronic acid.
Chemical Property Profile of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
Property Insights of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
The XLogP value of -3.257 indicates that (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid. Following Lipinski's Rule of Five, (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid has 4 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 (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid?
The CAS number of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid is 7114-42-3.
What is the molecular formula of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid?
The molecular formula of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid is C4H5BN2O4.
What is the molecular weight of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid?
The molecular weight of (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid is 156.03 g/mol.
Where can I buy (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid?
You can request a quote for (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.