p-Tolueneboronic acid, cyclic neopentanetetrayl ester
TL;DR: p-Tolueneboronic acid, cyclic neopentanetetrayl ester (CAS 7091-41-0) is a chemical compound with molecular formula C19H22B2O4 and molecular weight 336.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxa-3,9-diboraspiro[5.5]undecane
Also Known As: pMbbp, Pentaerythritol di(p-methylbenzeneboronate), Di-(p-methylbenzeneboronate) of pentaerythritol, p-Tolueneboronic acid, cyclic neopentanetetrayl ester, Di (p. methylbenzeneboronate) de pentaerythritol
| Molecular Formula | C19H22B2O4 |
|---|---|
| Molecular Weight | 336.17 g/mol |
| LogP | 1.47404 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1704 |
| Heavy Atoms | 25 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 7091-41-0 |
|---|---|
| SMILES | B1(OCC2(CO1)COB(OC2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C |
| InChIKey | LIKRJSWBWZSSLR-UHFFFAOYSA-N |
Product Overview
p-Tolueneboronic acid, cyclic neopentanetetrayl ester (CAS 7091-41-0), with molecular formula C19H22B2O4 and molecular weight 336.17 g/mol. IUPAC: 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxa-3,9-diboraspiro[5.5]undecane.
Chemical Property Profile of p-Tolueneboronic acid, cyclic neopentanetetrayl ester
Property Insights of p-Tolueneboronic acid, cyclic neopentanetetrayl ester
The XLogP value of 1.47404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolueneboronic acid, cyclic neopentanetetrayl ester. With a topological polar surface area (TPSA) of 36.9 Ų, p-Tolueneboronic acid, cyclic neopentanetetrayl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolueneboronic acid, cyclic neopentanetetrayl ester 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 p-Tolueneboronic acid, cyclic neopentanetetrayl ester?
The CAS number of p-Tolueneboronic acid, cyclic neopentanetetrayl ester is 7091-41-0.
What is the molecular formula of p-Tolueneboronic acid, cyclic neopentanetetrayl ester?
The molecular formula of p-Tolueneboronic acid, cyclic neopentanetetrayl ester is C19H22B2O4.
What is the molecular weight of p-Tolueneboronic acid, cyclic neopentanetetrayl ester?
The molecular weight of p-Tolueneboronic acid, cyclic neopentanetetrayl ester is 336.17 g/mol.
Where can I buy p-Tolueneboronic acid, cyclic neopentanetetrayl ester?
You can request a quote for p-Tolueneboronic acid, cyclic neopentanetetrayl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolueneboronic acid, cyclic neopentanetetrayl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Tolueneboronic acid, cyclic neopentanetetrayl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.