![1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one structure](/static/products/719/719277-32-4.png)
1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one
TL;DR: 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one (CAS 719277-32-4) is a chemical compound with molecular formula C13H15NOS and molecular weight 233.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)butan-2-one
Also Known As: 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one, (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)butan-2-one, (Z)-1-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)butan-2-one, 1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-butanone
| Molecular Formula | C13H15NOS |
|---|---|
| Molecular Weight | 233.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.08743 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 719277-32-4 |
|---|---|
| SMILES | CCC(=O)/C=C\1/N(C2=CC=CC=C2S1)CC |
| InChIKey | TZGSCXHSZFIZQP-LCYFTJDESA-N |
Product Overview
1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one (CAS 719277-32-4), with molecular formula C13H15NOS and molecular weight 233.09 g/mol. IUPAC: (1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)butan-2-one.
Chemical Property Profile of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one
Property Insights of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one
The XLogP value of 3.1 indicates that 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one has 0 hydrogen bond donor(s) and 3 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-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one?
The CAS number of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one is 719277-32-4.
What is the molecular formula of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one?
The molecular formula of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one is C13H15NOS.
What is the molecular weight of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one?
The molecular weight of 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one is 233.09 g/mol.
Where can I buy 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one?
You can request a quote for 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-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-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.