2-(3,4-Diethoxyphenyl)-1,3-benzothiazole
TL;DR: 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole (CAS 500336-94-7) is a chemical compound with molecular formula C17H17NO2S and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-diethoxyphenyl)-1,3-benzothiazole
Also Known As: 2-(3,4-diethoxyphenyl)-1,3-benzothiazole, AN-698/42227270
| Molecular Formula | C17H17NO2S |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.098 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 500336-94-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OCC |
| InChIKey | HRUVBXGKGKSWHP-UHFFFAOYSA-N |
Product Overview
2-(3,4-Diethoxyphenyl)-1,3-benzothiazole (CAS 500336-94-7), with molecular formula C17H17NO2S and molecular weight 299.10 g/mol. IUPAC: 2-(3,4-diethoxyphenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole
Property Insights of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole
The XLogP value of 4.9 indicates that 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole has 0 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 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole?
The CAS number of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole is 500336-94-7.
What is the molecular formula of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole?
The molecular formula of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole is C17H17NO2S.
What is the molecular weight of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole?
The molecular weight of 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole is 299.10 g/mol.
Where can I buy 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole?
You can request a quote for 2-(3,4-Diethoxyphenyl)-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-Diethoxyphenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Diethoxyphenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.