2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
TL;DR: 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane (CAS 3471-10-1) is a chemical compound with molecular formula C4H11B3O3 and molecular weight 140.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
Also Known As: Boroxin, ethyldimethyl-, Boroxin, ethyldimethyl- (9CI), 2-Ethyl-4,6-dimethylboroxin #, Boroxin,2-ethyl-4,6-dimethyl-, 2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
| Molecular Formula | C4H11B3O3 |
|---|---|
| Molecular Weight | 140.10 g/mol |
| LogP | 0.7939 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.09874 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 3471-10-1 |
|---|---|
| SMILES | B1(OB(OB(O1)CC)C)C |
| InChIKey | PHXGHSIICKBICE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane (CAS 3471-10-1), with molecular formula C4H11B3O3 and molecular weight 140.10 g/mol. IUPAC: 2-ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane.
Chemical Property Profile of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
Property Insights of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane
The XLogP value of 0.7939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane 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-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane?
The CAS number of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane is 3471-10-1.
What is the molecular formula of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane?
The molecular formula of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane is C4H11B3O3.
What is the molecular weight of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane?
The molecular weight of 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane is 140.10 g/mol.
Where can I buy 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane?
You can request a quote for 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4,6-dimethyl-1,3,5,2,4,6-trioxatriborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.