4-Phenoxathiinylboronic Acid
TL;DR: 4-Phenoxathiinylboronic Acid (CAS 213203-65-7) is a chemical compound with molecular formula C12H9BO3S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenoxathiin-4-ylboronic acid
Also Known As: Phenoxathiin-4-boronic acid, Phenoxathiin-4-ylboronic Acid, Boronic acid, B-4-phenoxathiinyl-, Phenoxathiin-4-boronicacid, 4-PHENOXATHIINYLBORONIC ACID
| Molecular Formula | C12H9BO3S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.6233 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.03654 |
| Heavy Atoms | 17 |
| Complexity | 571.42725 |
Chemical Identifiers
| CAS Number | 213203-65-7 |
|---|---|
| SMILES | B(C1=C2C(=CC=C1)SC3=CC=CC=C3O2)(O)O |
Product Overview
4-Phenoxathiinylboronic Acid (CAS 213203-65-7), with molecular formula C12H9BO3S and molecular weight 244.04 g/mol. IUPAC: phenoxathiin-4-ylboronic acid.
Chemical Property Profile of 4-Phenoxathiinylboronic Acid
Property Insights of 4-Phenoxathiinylboronic Acid
The XLogP value of 1.6233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenoxathiinylboronic Acid. With a topological polar surface area (TPSA) of 49.69 Ų, 4-Phenoxathiinylboronic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenoxathiinylboronic Acid has 2 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 4-Phenoxathiinylboronic Acid?
The CAS number of 4-Phenoxathiinylboronic Acid is 213203-65-7.
What is the molecular formula of 4-Phenoxathiinylboronic Acid?
The molecular formula of 4-Phenoxathiinylboronic Acid is C12H9BO3S.
What is the molecular weight of 4-Phenoxathiinylboronic Acid?
The molecular weight of 4-Phenoxathiinylboronic Acid is 244.04 g/mol.
Where can I buy 4-Phenoxathiinylboronic Acid?
You can request a quote for 4-Phenoxathiinylboronic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenoxathiinylboronic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxathiinylboronic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.