2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TL;DR: 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 82060-91-1) is a chemical compound with molecular formula C13H19BO4S and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane
Also Known As: 4,4,5,5-Tetramethyl-2-(4-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane, 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, n-methyliodofluoroacetamide, 4-(Methanesulfonyl)phenylboronic acid pinacol ester, AMTB760
| Molecular Formula | C13H19BO4S |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 1.3893 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.1097 |
| Heavy Atoms | 19 |
| Complexity | 559.1657 |
Chemical Identifiers
| CAS Number | 82060-91-1 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C |
Product Overview
2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 82060-91-1), with molecular formula C13H19BO4S and molecular weight 282.11 g/mol. IUPAC: 4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane.
Chemical Property Profile of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Property Insights of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
The XLogP value of 1.3893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has 0 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 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The CAS number of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 82060-91-1.
What is the molecular formula of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular formula of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C13H19BO4S.
What is the molecular weight of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The molecular weight of 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is 282.11 g/mol.
Where can I buy 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
You can request a quote for 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.