Catecholborane
TL;DR: Catecholborane (CAS 274-07-7) is a chemical compound with molecular formula C6H5BO2 and molecular weight 120.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,2-benzodioxaborole
Also Known As: Catecholborane, 1,3,2-Benzodioxaborole, c6h5bo2, 205-991-5, RefChem:574899
| Molecular Formula | C6H5BO2 |
|---|---|
| Molecular Weight | 120.04 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.03826 |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 274-07-7 |
|---|---|
| SMILES | B1OC2=CC=CC=C2O1 |
| InChIKey | CENMEJUYOOMFFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Catecholborane (CAS 274-07-7), with molecular formula C6H5BO2 and molecular weight 120.04 g/mol. IUPAC: 1,3,2-benzodioxaborole.
Chemical Property Profile of Catecholborane
Property Insights of Catecholborane
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catecholborane. With a topological polar surface area (TPSA) of 18.5 Ų, Catecholborane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Catecholborane has 0 hydrogen bond donor(s) and 2 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 Catecholborane?
The CAS number of Catecholborane is 274-07-7.
What is the molecular formula of Catecholborane?
The molecular formula of Catecholborane is C6H5BO2.
What is the molecular weight of Catecholborane?
The molecular weight of Catecholborane is 120.04 g/mol.
Where can I buy Catecholborane?
You can request a quote for Catecholborane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catecholborane?
Yes, KEHONG BIO provides custom synthesis services for Catecholborane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.