2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one
TL;DR: 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one (CAS 54518-06-8) is a chemical compound with molecular formula C9H9BO3 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenyl-1,3,2-dioxaborolan-4-one
Also Known As: 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one, 1,3,2-Dioxaborolan-4-one, 2-methyl-5-phenyl-, 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one #
| Molecular Formula | C9H9BO3 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.4191 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06447 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54518-06-8 |
|---|---|
| SMILES | B1(OC(C(=O)O1)C2=CC=CC=C2)C |
| InChIKey | HMDKPHGTKZEPRJ-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one (CAS 54518-06-8), with molecular formula C9H9BO3 and molecular weight 176.06 g/mol. IUPAC: 2-methyl-5-phenyl-1,3,2-dioxaborolan-4-one.
Chemical Property Profile of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one
Property Insights of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one
The XLogP value of 1.4191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one 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-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one?
The CAS number of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one is 54518-06-8.
What is the molecular formula of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one?
The molecular formula of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one is C9H9BO3.
What is the molecular weight of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one?
The molecular weight of 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one is 176.06 g/mol.
Where can I buy 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one?
You can request a quote for 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-phenyl-1,3,2-dioxaborolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.