6-Bromo-2-chlorobenzothiazole
TL;DR: 6-Bromo-2-chlorobenzothiazole (CAS 80945-86-4) is a chemical compound with molecular formula C7H3BrClNS and molecular weight 246.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-chloro-1,3-benzothiazole
Also Known As: 6-Bromo-2-chlorobenzothiazole, 6-bromo-2-chloro-1,3-benzothiazole, null, 6-BROMO-2-CHLOROBENZO[D]THIAZOLE, zlchem 563
| Molecular Formula | C7H3BrClNS |
|---|---|
| Molecular Weight | 246.89 g/mol |
| LogP | 3.7122 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.8858 |
| Heavy Atoms | 11 |
| Complexity | 398.23996 |
Chemical Identifiers
| CAS Number | 80945-86-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)SC(=N2)Cl |
Product Overview
6-Bromo-2-chlorobenzothiazole (CAS 80945-86-4), with molecular formula C7H3BrClNS and molecular weight 246.89 g/mol. IUPAC: 6-bromo-2-chloro-1,3-benzothiazole.
Chemical Property Profile of 6-Bromo-2-chlorobenzothiazole
Property Insights of 6-Bromo-2-chlorobenzothiazole
The XLogP value of 3.7122 indicates that 6-Bromo-2-chlorobenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 6-Bromo-2-chlorobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2-chlorobenzothiazole 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 6-Bromo-2-chlorobenzothiazole?
The CAS number of 6-Bromo-2-chlorobenzothiazole is 80945-86-4.
What is the molecular formula of 6-Bromo-2-chlorobenzothiazole?
The molecular formula of 6-Bromo-2-chlorobenzothiazole is C7H3BrClNS.
What is the molecular weight of 6-Bromo-2-chlorobenzothiazole?
The molecular weight of 6-Bromo-2-chlorobenzothiazole is 246.89 g/mol.
Where can I buy 6-Bromo-2-chlorobenzothiazole?
You can request a quote for 6-Bromo-2-chlorobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2-chlorobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2-chlorobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.