3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
TL;DR: 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine (CAS 869901-52-0) is a chemical compound with molecular formula C10H14BNO2 and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
Also Known As: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine, 3-Pyridineboronic acid neopentylglycol ester, Pyridine-3-boronic acid neopentylglycol ester, 2,4-Dimethylphenyl isothiocyanate, Pyridine-3-boronic acid, neopentyl glycol ester
| Molecular Formula | C10H14BNO2 |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 0.8498 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.11176 |
| Heavy Atoms | 14 |
| Complexity | 292.25012 |
Chemical Identifiers
| CAS Number | 869901-52-0 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C2=CN=CC=C2 |
Product Overview
3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine (CAS 869901-52-0), with molecular formula C10H14BNO2 and molecular weight 191.11 g/mol. IUPAC: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine.
Chemical Property Profile of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
Property Insights of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
The XLogP value of 0.8498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine. With a topological polar surface area (TPSA) of 31.35 Ų, 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine 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 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine?
The CAS number of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine is 869901-52-0.
What is the molecular formula of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine?
The molecular formula of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine is C10H14BNO2.
What is the molecular weight of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine?
The molecular weight of 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine is 191.11 g/mol.
Where can I buy 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine?
You can request a quote for 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.