![1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one structure](/static/products/3305/330558-24-2.webp)
1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
TL;DR: 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one (CAS 330558-24-2) is a chemical compound with molecular formula C17H15NO2S2 and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]ethanone
Also Known As: 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one, 1-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-ethanone, 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]ethanone, 1-acetyl-3-(benzothiazol-2-ylthiomethyl)-4-methoxybenzene, A2541/0108147
| Molecular Formula | C17H15NO2S2 |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0544 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 330558-24-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3S2 |
| InChIKey | OBBVALGISJQYJR-UHFFFAOYSA-N |
Product Overview
1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one (CAS 330558-24-2), with molecular formula C17H15NO2S2 and molecular weight 329.05 g/mol. IUPAC: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]ethanone.
Chemical Property Profile of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
Property Insights of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one
The XLogP value of 4.4 indicates that 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one. Following Lipinski's Rule of Five, 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one 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 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The CAS number of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is 330558-24-2.
What is the molecular formula of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The molecular formula of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is C17H15NO2S2.
What is the molecular weight of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
The molecular weight of 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one is 329.05 g/mol.
Where can I buy 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
You can request a quote for 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.