2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone (CAS 348146-11-2) is a chemical compound with molecular formula C17H15NO3S2 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-(1,3-BENZOTHIAZOL-2-YLTHIO)-1-(3,4-DIMETHOXYPHENYL)ETHANONE, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C17H15NO3S2 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 4.2885 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.04935 |
| Heavy Atoms | 23 |
| Complexity | 811.7257 |
Chemical Identifiers
| CAS Number | 348146-11-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2)OC |
Product Overview
2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone (CAS 348146-11-2), with molecular formula C17H15NO3S2 and molecular weight 345.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone
The XLogP value of 4.2885 indicates that 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone has 0 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 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone is 348146-11-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone is C17H15NO3S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone is 345.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.