6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-
TL;DR: 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- (CAS 36782-53-3) is a chemical compound with molecular formula C17H15NO4S and molecular weight 329.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid
Also Known As: 2-(3,4-Dimethoxyphenyl)-6-benzothiazoleacetic acid, (2-phenyl-benzothiazol-6-yl)-acetic acid, 6-BENZOTHIAZOLEACETIC ACID, 2-(3,4-DIMETHOXYPHENYL)-, 2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid, [2-(3,4-Dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid
| Molecular Formula | C17H15NO4S |
|---|---|
| Molecular Weight | 329.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.07217 |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 36782-53-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O)OC |
| InChIKey | UWXRMZYMTHVJOU-UHFFFAOYSA-N |
Product Overview
6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- (CAS 36782-53-3), with molecular formula C17H15NO4S and molecular weight 329.07 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-1,3-benzothiazol-6-yl]acetic acid.
Chemical Property Profile of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-
Property Insights of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-
The XLogP value of 3.4 indicates that 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-. Following Lipinski's Rule of Five, 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- has 1 hydrogen bond donor(s) and 6 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-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-?
The CAS number of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- is 36782-53-3.
What is the molecular formula of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-?
The molecular formula of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- is C17H15NO4S.
What is the molecular weight of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-?
The molecular weight of 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- is 329.07 g/mol.
Where can I buy 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-?
You can request a quote for 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazoleacetic acid, 2-(3,4-dimethoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.