1,3-Benzothiazol-6-ylboronic acid
TL;DR: 1,3-Benzothiazol-6-ylboronic acid (CAS 499770-71-7) is a chemical compound with molecular formula C7H6BNO2S and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-6-ylboronic acid
Also Known As: benzo[d]thiazol-6-ylboronic acid, 1,3-benzothiazol-6-ylboronic acid, 6-Benzothiazoleboronic Acid, Benzo[D]Thiazol-6-YlboronicAcid, Benzothiazol-6-ylboronic Acid
| Molecular Formula | C7H6BNO2S |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | -0.0239 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02122 |
| Heavy Atoms | 12 |
| Complexity | 400.96063 |
Chemical Identifiers
| CAS Number | 499770-71-7 |
|---|---|
| SMILES | B(C1=CC2=C(C=C1)N=CS2)(O)O |
Product Overview
1,3-Benzothiazol-6-ylboronic acid (CAS 499770-71-7), with molecular formula C7H6BNO2S and molecular weight 179.02 g/mol. IUPAC: 1,3-benzothiazol-6-ylboronic acid.
Chemical Property Profile of 1,3-Benzothiazol-6-ylboronic acid
Property Insights of 1,3-Benzothiazol-6-ylboronic acid
The XLogP value of -0.0239 indicates that 1,3-Benzothiazol-6-ylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.35 Ų, 1,3-Benzothiazol-6-ylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzothiazol-6-ylboronic 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 1,3-Benzothiazol-6-ylboronic acid?
The CAS number of 1,3-Benzothiazol-6-ylboronic acid is 499770-71-7.
What is the molecular formula of 1,3-Benzothiazol-6-ylboronic acid?
The molecular formula of 1,3-Benzothiazol-6-ylboronic acid is C7H6BNO2S.
What is the molecular weight of 1,3-Benzothiazol-6-ylboronic acid?
The molecular weight of 1,3-Benzothiazol-6-ylboronic acid is 179.02 g/mol.
Where can I buy 1,3-Benzothiazol-6-ylboronic acid?
You can request a quote for 1,3-Benzothiazol-6-ylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-6-ylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-6-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.