2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (CAS 65782-67-4) is a chemical compound with molecular formula C16H13NO2S2 and molecular weight 315.04 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-(4-methoxyphenyl)ethanone
Also Known As: IFLab1_000161, IDI1_008380, 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone, 2-benzothiazol-2-ylthio-1-(4-methoxyphenyl)ethan-1-one, 2-(1,3-BENZOTHIAZOL-2-YLTHIO)-1-(4-METHOXYPHENYL)ETHANONE
| Molecular Formula | C16H13NO2S2 |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 4.2799 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.03876 |
| Heavy Atoms | 21 |
| Complexity | 732.30286 |
Chemical Identifiers
| CAS Number | 65782-67-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone (CAS 65782-67-4), with molecular formula C16H13NO2S2 and molecular weight 315.04 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
The XLogP value of 4.2799 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone 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-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is 65782-67-4.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is C16H13NO2S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone is 315.04 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)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-ylsulfanyl)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.