2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole
TL;DR: 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole (CAS 695174-48-2) is a chemical compound with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromo-4-methoxyphenyl)-1,3-benzothiazole
Also Known As: 2-(3-bromo-4-methoxyphenyl)-1,3-benzothiazole, 2-(3-Bromo-4-methoxyphenyl)benzothiazole
| Molecular Formula | C14H10BrNOS |
|---|---|
| Molecular Weight | 318.97 g/mol |
| LogP | 4.7344 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.96664 |
| Heavy Atoms | 18 |
| Complexity | 674.8354 |
Chemical Identifiers
| CAS Number | 695174-48-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Br |
Product Overview
2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole (CAS 695174-48-2), with molecular formula C14H10BrNOS and molecular weight 318.97 g/mol. IUPAC: 2-(3-bromo-4-methoxyphenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole
Property Insights of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole
The XLogP value of 4.7344 indicates that 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole 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 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole?
The CAS number of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole is 695174-48-2.
What is the molecular formula of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole is C14H10BrNOS.
What is the molecular weight of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole is 318.97 g/mol.
Where can I buy 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromo-4-methoxyphenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.