1,3,2-Benzodioxaborole, 2-butoxy-
TL;DR: 1,3,2-Benzodioxaborole, 2-butoxy- (CAS 3488-87-7) is a chemical compound with molecular formula C10H13BO3 and molecular weight 192.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxy-1,3,2-benzodioxaborole
Also Known As: Butyl o-phenylene borate, 2-butoxy-1,3,2-benzodioxaborole, 1,3,2-Benzodioxaborole, 2-butoxy-, 2-butoxy-2H-1,3,2-benzodioxaborole, 1,3,2-Benzodioxaborole,2-butoxy
| Molecular Formula | C10H13BO3 |
|---|---|
| Molecular Weight | 192.10 g/mol |
| LogP | 2.26 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.09578 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 3488-87-7 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)OCCCC |
| InChIKey | AANCNHZLOROQSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,2-Benzodioxaborole, 2-butoxy- (CAS 3488-87-7), with molecular formula C10H13BO3 and molecular weight 192.10 g/mol. IUPAC: 2-butoxy-1,3,2-benzodioxaborole.
Chemical Property Profile of 1,3,2-Benzodioxaborole, 2-butoxy-
Property Insights of 1,3,2-Benzodioxaborole, 2-butoxy-
The XLogP value of 2.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Benzodioxaborole, 2-butoxy-. With a topological polar surface area (TPSA) of 27.7 Ų, 1,3,2-Benzodioxaborole, 2-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Benzodioxaborole, 2-butoxy- 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 1,3,2-Benzodioxaborole, 2-butoxy-?
The CAS number of 1,3,2-Benzodioxaborole, 2-butoxy- is 3488-87-7.
What is the molecular formula of 1,3,2-Benzodioxaborole, 2-butoxy-?
The molecular formula of 1,3,2-Benzodioxaborole, 2-butoxy- is C10H13BO3.
What is the molecular weight of 1,3,2-Benzodioxaborole, 2-butoxy-?
The molecular weight of 1,3,2-Benzodioxaborole, 2-butoxy- is 192.10 g/mol.
Where can I buy 1,3,2-Benzodioxaborole, 2-butoxy-?
You can request a quote for 1,3,2-Benzodioxaborole, 2-butoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Benzodioxaborole, 2-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Benzodioxaborole, 2-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.