1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one
TL;DR: 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one (CAS 2582-24-3) is a chemical compound with molecular formula C15H19NOS and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one
Also Known As: 1-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one, 1-(3-ethyl-5,6-dimethyl-benzothiazol-2-ylidene)butan-2-one, 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)butan-2-one, 2-BUTANONE, 1-(3-ETHYL-5,6-DIMETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-, 2-BUTANONE,1-(3-ETHYL-5,6-DIMETHYL-2(3H)-BENZOTHIAZOLYLIDENE)
| Molecular Formula | C15H19NOS |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | 4.05594 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.11874 |
| Heavy Atoms | 18 |
| Complexity | 519.47003 |
Chemical Identifiers
| CAS Number | 2582-24-3 |
|---|---|
| SMILES | CCC(=O)C=C1N(C2=C(S1)C=C(C(=C2)C)C)CC |
Product Overview
1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one (CAS 2582-24-3), with molecular formula C15H19NOS and molecular weight 261.12 g/mol. IUPAC: 1-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one.
Chemical Property Profile of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one
Property Insights of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one
The XLogP value of 4.05594 indicates that 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-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 20.31 Ų, 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-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-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one?
The CAS number of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one is 2582-24-3.
What is the molecular formula of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one?
The molecular formula of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one is C15H19NOS.
What is the molecular weight of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one?
The molecular weight of 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one is 261.12 g/mol.
Where can I buy 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one?
You can request a quote for 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-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-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.