5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole
TL;DR: 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole (CAS 94838-83-2) is a chemical compound with molecular formula C12H15BO4 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3,2-dioxaborinane
Also Known As: J3.073.523D, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole, 2-(1,3-Benzodioxole-5-yl)-5,5-dimethyl-1,3,2-dioxaborinane, 2-benzo[1,3]dioxol-5-yl-5,5-dimethyl-1,3,2-dioxaborinane, 1,3-Benzodioxole, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
| Molecular Formula | C12H15BO4 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 1.1835 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.10634 |
| Heavy Atoms | 17 |
| Complexity | 422.51385 |
Chemical Identifiers
| CAS Number | 94838-83-2 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C2=CC3=C(C=C2)OCO3 |
Product Overview
5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole (CAS 94838-83-2), with molecular formula C12H15BO4 and molecular weight 234.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole
Property Insights of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole
The XLogP value of 1.1835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 36.92 Ų, 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole has 0 hydrogen bond donor(s) and 4 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 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole?
The CAS number of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole is 94838-83-2.
What is the molecular formula of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole?
The molecular formula of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole is C12H15BO4.
What is the molecular weight of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole?
The molecular weight of 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole is 234.11 g/mol.
Where can I buy 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole?
You can request a quote for 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.