(2,4-Dioxohexahydropyrimidin-5-yl)boronic acid
TL;DR: (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid (CAS 70523-22-7) is a chemical compound with molecular formula C4H7BN2O4 and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1,3-diazinan-5-yl)boronic acid
Also Known As: (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid, URACIL-5-BORONIC ACID, (2,4-dioxo-1,3-diazinan-5-yl)boronic Acid, 2,4-DIOXOHEXAHYDROPYRIMIDIN-5-YLBORONIC ACID, (2,4-dioxo-1,3-diazinan-5-yl)boronicacid
| Molecular Formula | C4H7BN2O4 |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | -2.3312 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04988 |
| Heavy Atoms | 11 |
| Complexity | 194.53108 |
Chemical Identifiers
| CAS Number | 70523-22-7 |
|---|---|
| SMILES | B(C1CNC(=O)NC1=O)(O)O |
Product Overview
(2,4-Dioxohexahydropyrimidin-5-yl)boronic acid (CAS 70523-22-7), with molecular formula C4H7BN2O4 and molecular weight 158.05 g/mol. IUPAC: (2,4-dioxo-1,3-diazinan-5-yl)boronic acid.
Chemical Property Profile of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid
Property Insights of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid
The XLogP value of -2.3312 indicates that (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid. Following Lipinski's Rule of Five, (2,4-Dioxohexahydropyrimidin-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-Dioxohexahydropyrimidin-5-yl)boronic acid?
The CAS number of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid is 70523-22-7.
What is the molecular formula of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid?
The molecular formula of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid is C4H7BN2O4.
What is the molecular weight of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid?
The molecular weight of (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid is 158.05 g/mol.
Where can I buy (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid?
You can request a quote for (2,4-Dioxohexahydropyrimidin-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-Dioxohexahydropyrimidin-5-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dioxohexahydropyrimidin-5-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.