2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole
TL;DR: 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole (CAS 76088-45-4) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
Also Known As: 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole, 2-(3,4,5-Trimethoxyphenyl)Benzothiazole, BAS 07000931, 2-(3,4,5-Trimethoxyphenyl)Benzo[D]Thiazole, 2-(3,4,5-trimethoxyphenyl)-benzothiazole
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 76088-45-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3S2 |
| InChIKey | OWRCNKRRSJRMCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole (CAS 76088-45-4), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole
Property Insights of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole
The XLogP value of 4.2 indicates that 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 5 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-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole?
The CAS number of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole is 76088-45-4.
What is the molecular formula of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole?
The molecular formula of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole is C16H15NO3S.
What is the molecular weight of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole?
The molecular weight of 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole is 301.08 g/mol.
Where can I buy 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole?
You can request a quote for 2-(3,4,5-Trimethoxyphenyl)-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-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4,5-Trimethoxyphenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.