5-(Dihydroxyboryl)-1-methyluracil
TL;DR: 5-(Dihydroxyboryl)-1-methyluracil (CAS 213971-11-0) is a chemical compound with molecular formula C5H7BN2O4 and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-2,4-dioxopyrimidin-5-yl)boronic acid
Also Known As: 5-(Dihydroxyboryl)-1-methyluracil, D-1735, (1-methyl-2,4-dioxopyrimidin-5-yl)boronic acid, (1-methyl-2,4-dioxo-pyrimidin-5-yl)boronic acid, (1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid
| Molecular Formula | C5H7BN2O4 |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | -3.2466 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04988 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 213971-11-0 |
|---|---|
| SMILES | B(C1=CN(C(=O)NC1=O)C)(O)O |
| InChIKey | VILYMPSCQQUOPC-UHFFFAOYSA-N |
Product Overview
5-(Dihydroxyboryl)-1-methyluracil (CAS 213971-11-0), with molecular formula C5H7BN2O4 and molecular weight 170.05 g/mol. IUPAC: (1-methyl-2,4-dioxopyrimidin-5-yl)boronic acid.
Chemical Property Profile of 5-(Dihydroxyboryl)-1-methyluracil
Property Insights of 5-(Dihydroxyboryl)-1-methyluracil
The XLogP value of -3.2466 indicates that 5-(Dihydroxyboryl)-1-methyluracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Dihydroxyboryl)-1-methyluracil. Following Lipinski's Rule of Five, 5-(Dihydroxyboryl)-1-methyluracil has 3 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 5-(Dihydroxyboryl)-1-methyluracil?
The CAS number of 5-(Dihydroxyboryl)-1-methyluracil is 213971-11-0.
What is the molecular formula of 5-(Dihydroxyboryl)-1-methyluracil?
The molecular formula of 5-(Dihydroxyboryl)-1-methyluracil is C5H7BN2O4.
What is the molecular weight of 5-(Dihydroxyboryl)-1-methyluracil?
The molecular weight of 5-(Dihydroxyboryl)-1-methyluracil is 170.05 g/mol.
Where can I buy 5-(Dihydroxyboryl)-1-methyluracil?
You can request a quote for 5-(Dihydroxyboryl)-1-methyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Dihydroxyboryl)-1-methyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dihydroxyboryl)-1-methyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.