Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester
TL;DR: Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester (CAS 73688-88-7) is a chemical compound with molecular formula C12H7BCl2O2 and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-2-phenyl-1,3,2-benzodioxaborole
Also Known As: 5,6-dichloro-2-phenyl-1,3,2-benzodioxaborole, Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester, 1,2-(4,5-Dichlorophenylene) benzeneboronate, 1,3,2-Benzodioxaborole, 5,6-dichloro-2-phenyl-, 1,5-Dichlorophenylene) benzeneboronate
| Molecular Formula | C12H7BCl2O2 |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 3.16 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.9916 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 73688-88-7 |
|---|---|
| SMILES | B1(OC2=CC(=C(C=C2O1)Cl)Cl)C3=CC=CC=C3 |
| InChIKey | BQVWFNYJTACZFE-UHFFFAOYSA-N |
Product Overview
Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester (CAS 73688-88-7), with molecular formula C12H7BCl2O2 and molecular weight 263.99 g/mol. IUPAC: 5,6-dichloro-2-phenyl-1,3,2-benzodioxaborole.
Chemical Property Profile of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester
Property Insights of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester
The XLogP value of 3.16 indicates that Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) 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 Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester?
The CAS number of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester is 73688-88-7.
What is the molecular formula of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester?
The molecular formula of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester is C12H7BCl2O2.
What is the molecular weight of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester?
The molecular weight of Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester is 263.99 g/mol.
Where can I buy Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester?
You can request a quote for Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) 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, 1,2-(4,5-dichlorophenylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneboronic acid, 1,2-(4,5-dichlorophenylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.