4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
TL;DR: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde (CAS 128376-65-8) 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.
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
Also Known As: 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, Benzaldehyde, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, 4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, 4CH-007516, J1.221.744G
| 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 | 362.3552 |
Chemical Identifiers
| CAS Number | 128376-65-8 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C2=CC=C(C=C2)C=O |
Product Overview
4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde (CAS 128376-65-8), with molecular formula C12H15BO3 and molecular weight 218.11 g/mol. IUPAC: 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde.
Chemical Property Profile of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
Property Insights of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde
The XLogP value of 1.2673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde. With a topological polar surface area (TPSA) of 35.53 Ų, 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde 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 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde?
The CAS number of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde is 128376-65-8.
What is the molecular formula of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde?
The molecular formula of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde is C12H15BO3.
What is the molecular weight of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde?
The molecular weight of 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde is 218.11 g/mol.
Where can I buy 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde?
You can request a quote for 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.