2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane
TL;DR: 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane (CAS 55162-70-4) is a chemical compound with molecular formula C12H25BO3 and molecular weight 228.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptoxy-4,6-dimethyl-1,3,2-dioxaborinane
Also Known As: 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane, 2-Heptyloxy-4,6-dimethyl-1,3,2-dioxaborinane, 1,3,2-Dioxaborinane, 2-(heptyloxy)-4,6-dimethyl-, 2-heptoxy-4,6-dimethyl-1,3,2-dioxaborinane, 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane #
| Molecular Formula | C12H25BO3 |
|---|---|
| Molecular Weight | 228.19 g/mol |
| LogP | 3.1722 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.18968 |
| Heavy Atoms | 16 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 55162-70-4 |
|---|---|
| SMILES | B1(OC(CC(O1)C)C)OCCCCCCC |
| InChIKey | JJURZGHGBZDTGQ-UHFFFAOYSA-N |
Product Overview
2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane (CAS 55162-70-4), with molecular formula C12H25BO3 and molecular weight 228.19 g/mol. IUPAC: 2-heptoxy-4,6-dimethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane
Property Insights of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane
The XLogP value of 3.1722 indicates that 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane 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-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane?
The CAS number of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane is 55162-70-4.
What is the molecular formula of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane?
The molecular formula of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane is C12H25BO3.
What is the molecular weight of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane?
The molecular weight of 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane is 228.19 g/mol.
Where can I buy 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane?
You can request a quote for 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Heptyloxy)-4,6-dimethyl-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.