2-Formylbenzeneboronic acid, neopentyl glycol ester
TL;DR: 2-Formylbenzeneboronic acid, neopentyl glycol ester (CAS 95752-86-6) is a chemical compound with molecular formula C12H15BO3 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
Also Known As: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, 2-formylphenyl boronic acid, 2-formylphenylboronic acid, neopentyl glycol ester, 2-Formylphenylboronic acid neopentyl glycol ester, (2-FORMYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER
| Molecular Formula | C12H15BO3 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.2673 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.11142 |
| Heavy Atoms | 16 |
| Complexity | 379.6052 |
Chemical Identifiers
| CAS Number | 95752-86-6 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C2=CC=CC=C2C=O |
Product Overview
2-Formylbenzeneboronic acid, neopentyl glycol ester (CAS 95752-86-6), with molecular formula C12H15BO3 and molecular weight 218.11 g/mol. IUPAC: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde.
Chemical Property Profile of 2-Formylbenzeneboronic acid, neopentyl glycol ester
Property Insights of 2-Formylbenzeneboronic acid, neopentyl glycol ester
The XLogP value of 1.2673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formylbenzeneboronic acid, neopentyl glycol ester. With a topological polar surface area (TPSA) of 35.53 Ų, 2-Formylbenzeneboronic acid, neopentyl glycol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Formylbenzeneboronic acid, neopentyl glycol 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 2-Formylbenzeneboronic acid, neopentyl glycol ester?
The CAS number of 2-Formylbenzeneboronic acid, neopentyl glycol ester is 95752-86-6.
What is the molecular formula of 2-Formylbenzeneboronic acid, neopentyl glycol ester?
The molecular formula of 2-Formylbenzeneboronic acid, neopentyl glycol ester is C12H15BO3.
What is the molecular weight of 2-Formylbenzeneboronic acid, neopentyl glycol ester?
The molecular weight of 2-Formylbenzeneboronic acid, neopentyl glycol ester is 218.11 g/mol.
Where can I buy 2-Formylbenzeneboronic acid, neopentyl glycol ester?
You can request a quote for 2-Formylbenzeneboronic acid, neopentyl glycol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formylbenzeneboronic acid, neopentyl glycol ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Formylbenzeneboronic acid, neopentyl glycol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.