2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate
TL;DR: 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate (CAS 109299-79-8) is a chemical compound with molecular formula C12H23BN2O5 and molecular weight 286.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid;hydrate
Also Known As: null, 2,4-di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate, (2,4-Di-tert-butoxypyrimidin-5-yl)boronic acid hydrate, 2,4-Di-tert-butoxypyrimidine-5-boronic acid, 2,4-ditert-butoxypyrimidin-5-ylboronic acid
| Molecular Formula | C12H23BN2O5 |
|---|---|
| Molecular Weight | 286.17 g/mol |
| LogP | -0.3137 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.17 |
| Heavy Atoms | 20 |
| Complexity | 440.4543 |
Chemical Identifiers
| CAS Number | 109299-79-8 |
|---|---|
| SMILES | B(C1=CN=C(N=C1OC(C)(C)C)OC(C)(C)C)(O)O.O |
Product Overview
2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate (CAS 109299-79-8), with molecular formula C12H23BN2O5 and molecular weight 286.17 g/mol. IUPAC: [2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid;hydrate.
Chemical Property Profile of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate
Property Insights of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate
The XLogP value of -0.3137 indicates that 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate. Following Lipinski's Rule of Five, 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate has 2 hydrogen bond donor(s) and 6 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-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate?
The CAS number of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate is 109299-79-8.
What is the molecular formula of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate?
The molecular formula of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate is C12H23BN2O5.
What is the molecular weight of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate?
The molecular weight of 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate is 286.17 g/mol.
Where can I buy 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate?
You can request a quote for 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Di(tert-butoxy)pyrimidin-5-ylboronic acid hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.