Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester
TL;DR: Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester (CAS 73688-89-8) is a chemical compound with molecular formula C13H9BCl2O2S and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-2-(4-methylsulfanylphenyl)-1,3,2-benzodioxaborole
Also Known As: Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester, 1,2-(4,5-Dichlorophenylene) p-methylthiobenzeneboronate, 5,6-dichloro-2-(4-methylsulfanylphenyl)-1,3,2-benzodioxaborole, p-Methylthiobenzeneboronic acid 1,2-(4,5-dichlorophenylene) ester, 1,5-Dichlorophenylene) p-methylthiobenzeneboronate
| Molecular Formula | C13H9BCl2O2S |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.88 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.97934 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 73688-89-8 |
|---|---|
| SMILES | B1(OC2=CC(=C(C=C2O1)Cl)Cl)C3=CC=C(C=C3)SC |
| InChIKey | LOXGENMEUVNPAU-UHFFFAOYSA-N |
Product Overview
Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester (CAS 73688-89-8), with molecular formula C13H9BCl2O2S and molecular weight 309.98 g/mol. IUPAC: 5,6-dichloro-2-(4-methylsulfanylphenyl)-1,3,2-benzodioxaborole.
Chemical Property Profile of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester
Property Insights of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester
The XLogP value of 3.88 indicates that Benzeneboronic acid, p-methylthio-, 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 43.8 Ų, Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester has 0 hydrogen bond donor(s) and 3 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-, 1,2-(4,5-dichlorophenylene) ester?
The CAS number of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester is 73688-89-8.
What is the molecular formula of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester?
The molecular formula of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester is C13H9BCl2O2S.
What is the molecular weight of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester?
The molecular weight of Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester is 309.98 g/mol.
Where can I buy Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester?
You can request a quote for Benzeneboronic acid, p-methylthio-, 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, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneboronic acid, p-methylthio-, 1,2-(4,5-dichlorophenylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.