3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
TL;DR: 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid (CAS 279261-89-1) is a chemical compound with molecular formula C9H11BO4 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
Also Known As: 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid, (3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)boronic acid, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)boronic acid, 3,4-Dihydro-2H-1,5-benzodioxepine-7-boronic Acid, 3,4-Dihydro-2H-1,5-benzodioxepin-7-yl boronic acid
| Molecular Formula | C9H11BO4 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -0.4723 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.07504 |
| Heavy Atoms | 14 |
| Complexity | 326.58804 |
Chemical Identifiers
| CAS Number | 279261-89-1 |
|---|---|
| SMILES | B(C1=CC2=C(C=C1)OCCCO2)(O)O |
Product Overview
3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid (CAS 279261-89-1), with molecular formula C9H11BO4 and molecular weight 194.08 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepin-7-ylboronic acid.
Chemical Property Profile of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
Property Insights of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
The XLogP value of -0.4723 indicates that 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.92 Ų, 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid has 2 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 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid?
The CAS number of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid is 279261-89-1.
What is the molecular formula of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid?
The molecular formula of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid is C9H11BO4.
What is the molecular weight of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid?
The molecular weight of 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid is 194.08 g/mol.
Where can I buy 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid?
You can request a quote for 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.