Butyl metaborate
TL;DR: Butyl metaborate (CAS 57073-75-3) is a chemical compound with molecular formula C4H9BO2 and molecular weight 100.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butoxy(oxo)borane
Also Known As: Butyl metaborate, butylmetaborate, butoxy(oxo)borane, butoxy-oxo-borane, Metaboric acid butyl ester
| Molecular Formula | C4H9BO2 |
|---|---|
| Molecular Weight | 100.07 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.06956 |
| Heavy Atoms | 7 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 57073-75-3 |
|---|---|
| SMILES | B(=O)OCCCC |
| InChIKey | IEFORYAKGBSZCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl metaborate (CAS 57073-75-3), with molecular formula C4H9BO2 and molecular weight 100.07 g/mol. IUPAC: butoxy(oxo)borane.
Chemical Property Profile of Butyl metaborate
Property Insights of Butyl metaborate
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl metaborate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl metaborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl metaborate 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 Butyl metaborate?
The CAS number of Butyl metaborate is 57073-75-3.
What is the molecular formula of Butyl metaborate?
The molecular formula of Butyl metaborate is C4H9BO2.
What is the molecular weight of Butyl metaborate?
The molecular weight of Butyl metaborate is 100.07 g/mol.
Where can I buy Butyl metaborate?
You can request a quote for Butyl metaborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl metaborate?
Yes, KEHONG BIO provides custom synthesis services for Butyl metaborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.