1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester
TL;DR: 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester (CAS 777063-41-9) is a chemical compound with molecular formula C14H25BN2O2 and molecular weight 264.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Also Known As: 1-Isopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-(3-methylbutyl)-1h-pyrazole-4-boronic acid, pinacol ester, BM253, 1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole, 1-(3-METHYLBUTYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
| Molecular Formula | C14H25BN2O2 |
|---|---|
| Molecular Weight | 264.20 g/mol |
| LogP | 2.2284 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.2009 |
| Heavy Atoms | 19 |
| Complexity | 424.4093 |
Chemical Identifiers
| CAS Number | 777063-41-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCC(C)C |
Product Overview
1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester (CAS 777063-41-9), with molecular formula C14H25BN2O2 and molecular weight 264.20 g/mol. IUPAC: 1-(3-methylbutyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
Chemical Property Profile of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester
Property Insights of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester
The XLogP value of 2.2284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester. With a topological polar surface area (TPSA) of 36.28 Ų, 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester has 0 hydrogen bond donor(s) and 3 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 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester?
The CAS number of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester is 777063-41-9.
What is the molecular formula of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester?
The molecular formula of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester is C14H25BN2O2.
What is the molecular weight of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester?
The molecular weight of 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester is 264.20 g/mol.
Where can I buy 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester?
You can request a quote for 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbutyl)-1H-pyrazole-4-boronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.