2-Ethoxy-1,3,2-benzodioxaborole
TL;DR: 2-Ethoxy-1,3,2-benzodioxaborole (CAS 72035-40-6) is a chemical compound with molecular formula C8H9BO3 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-1,3,2-benzodioxaborole
Also Known As: 2-ethoxy-1,3,2-benzodioxaborole, 2-ethoxybenzo[d][1,3,2]dioxaborole, 8-ethoxy-7,9-dioxa-8-borabicyclo[4.3.0]nona-1,3,5-triene, InChI=1/C8H9BO3/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H
| Molecular Formula | C8H9BO3 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.4792 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.06447 |
| Heavy Atoms | 12 |
| Complexity | 251.7604 |
Chemical Identifiers
| CAS Number | 72035-40-6 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)OCC |
Product Overview
2-Ethoxy-1,3,2-benzodioxaborole (CAS 72035-40-6), with molecular formula C8H9BO3 and molecular weight 164.06 g/mol. IUPAC: 2-ethoxy-1,3,2-benzodioxaborole.
Chemical Property Profile of 2-Ethoxy-1,3,2-benzodioxaborole
Property Insights of 2-Ethoxy-1,3,2-benzodioxaborole
The XLogP value of 1.4792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-1,3,2-benzodioxaborole. With a topological polar surface area (TPSA) of 27.69 Ų, 2-Ethoxy-1,3,2-benzodioxaborole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-1,3,2-benzodioxaborole 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-Ethoxy-1,3,2-benzodioxaborole?
The CAS number of 2-Ethoxy-1,3,2-benzodioxaborole is 72035-40-6.
What is the molecular formula of 2-Ethoxy-1,3,2-benzodioxaborole?
The molecular formula of 2-Ethoxy-1,3,2-benzodioxaborole is C8H9BO3.
What is the molecular weight of 2-Ethoxy-1,3,2-benzodioxaborole?
The molecular weight of 2-Ethoxy-1,3,2-benzodioxaborole is 164.06 g/mol.
Where can I buy 2-Ethoxy-1,3,2-benzodioxaborole?
You can request a quote for 2-Ethoxy-1,3,2-benzodioxaborole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-1,3,2-benzodioxaborole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-1,3,2-benzodioxaborole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.