![2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone structure](/static/products/3013/301331-28-2.webp)
2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone
TL;DR: 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone (CAS 301331-28-2) is a chemical compound with molecular formula C16H13NO3S2 and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-thiophen-2-ylethanone
Also Known As: 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone, 2-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-thiophen-2-ylethanone, 2-(7-Ethyl-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6(7H)-ylidene)-1-(thiophen-2-yl)ethan-1-one
| Molecular Formula | C16H13NO3S2 |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 4.1331 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0337 |
| Heavy Atoms | 22 |
| Complexity | 767.9481 |
Chemical Identifiers
| CAS Number | 301331-28-2 |
|---|---|
| SMILES | CCN1C2=CC3=C(C=C2SC1=CC(=O)C4=CC=CS4)OCO3 |
Product Overview
2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone (CAS 301331-28-2), with molecular formula C16H13NO3S2 and molecular weight 331.03 g/mol. IUPAC: 2-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-thiophen-2-ylethanone.
Chemical Property Profile of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone
Property Insights of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone
The XLogP value of 4.1331 indicates that 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)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-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone?
The CAS number of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone is 301331-28-2.
What is the molecular formula of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone?
The molecular formula of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone is C16H13NO3S2.
What is the molecular weight of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone?
The molecular weight of 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone is 331.03 g/mol.
Where can I buy 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone?
You can request a quote for 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(7-Ethyl-1,3-dioxolo[4,5-f]benzothiazol-6(7H)-ylidene)-1-(2-thienyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.