Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester
TL;DR: Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester (CAS 73688-90-1) is a chemical compound with molecular formula C11H16BNO2S and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane
Also Known As: 2,2-Iminodiethyl p-methylthiobenzeneboronate, p-Methylthiobenzeneboronic acid 2,2-iminodiethyl ester, Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester, 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane, p-Methylthiobenzeneboronicacid2,2-iminodiethylester
| Molecular Formula | C11H16BNO2S |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.7401 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09949 |
| Heavy Atoms | 16 |
| Complexity | 312.26553 |
Chemical Identifiers
| CAS Number | 73688-90-1 |
|---|---|
| SMILES | B1(OCCNCCO1)C2=CC=C(C=C2)SC |
Product Overview
Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester (CAS 73688-90-1), with molecular formula C11H16BNO2S and molecular weight 237.10 g/mol. IUPAC: 2-(4-methylsulfanylphenyl)-1,3,6,2-dioxazaborocane.
Chemical Property Profile of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester
Property Insights of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester
The XLogP value of 0.7401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester. With a topological polar surface area (TPSA) of 30.49 Ų, Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester has 1 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 Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester?
The CAS number of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester is 73688-90-1.
What is the molecular formula of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester?
The molecular formula of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester is C11H16BNO2S.
What is the molecular weight of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester?
The molecular weight of Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester is 237.10 g/mol.
Where can I buy Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester?
You can request a quote for Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneboronic acid, p-methylthio-, 2,2-iminodiethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.