1-Propylboronic acid catechol ester
TL;DR: 1-Propylboronic acid catechol ester (CAS 40218-49-3) is a chemical compound with molecular formula C9H11BO2 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propyl-1,3,2-benzodioxaborole
Also Known As: 2-Propyl-1,3,2-benzodioxaborole, 2-Propylbenzo[d][1,3,2]dioxaborole, B-n-propylcatechoborane, 1-Propylboronic acid catechol ester, 1,3,2-Benzodioxaborole,2-propyl-
| Molecular Formula | C9H11BO2 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 2.356 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.0852 |
| Heavy Atoms | 12 |
| Complexity | 249.98598 |
Chemical Identifiers
| CAS Number | 40218-49-3 |
|---|---|
| SMILES | B1(OC2=CC=CC=C2O1)CCC |
Product Overview
1-Propylboronic acid catechol ester (CAS 40218-49-3), with molecular formula C9H11BO2 and molecular weight 162.09 g/mol. IUPAC: 2-propyl-1,3,2-benzodioxaborole.
Chemical Property Profile of 1-Propylboronic acid catechol ester
Property Insights of 1-Propylboronic acid catechol ester
The XLogP value of 2.356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propylboronic acid catechol ester. With a topological polar surface area (TPSA) of 18.46 Ų, 1-Propylboronic acid catechol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propylboronic acid catechol ester 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 1-Propylboronic acid catechol ester?
The CAS number of 1-Propylboronic acid catechol ester is 40218-49-3.
What is the molecular formula of 1-Propylboronic acid catechol ester?
The molecular formula of 1-Propylboronic acid catechol ester is C9H11BO2.
What is the molecular weight of 1-Propylboronic acid catechol ester?
The molecular weight of 1-Propylboronic acid catechol ester is 162.09 g/mol.
Where can I buy 1-Propylboronic acid catechol ester?
You can request a quote for 1-Propylboronic acid catechol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylboronic acid catechol ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylboronic acid catechol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.