![5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one structure](/static/products/3545/354538-24-2.webp)
5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
TL;DR: 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one (CAS 354538-24-2) is a chemical compound with molecular formula C22H22N2OS and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one, 5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]-2-cyclohexen-1-one, (3Z)-5,5-dimethyl-3-{[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]imino}cyclohex-1-en-1-ol, 5,5-dimethyl-3-((4-(5-methylbenzo[d]thiazol-2-yl)phenyl)amino)cyclohex-2-enone, 5,5-DIMETHYL-3-{[4-(5-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]AMINO}CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C22H22N2OS |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 5.95662 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1453 |
| Heavy Atoms | 26 |
| Complexity | 1012.3032 |
Chemical Identifiers
| CAS Number | 354538-24-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC4=CC(=O)CC(C4)(C)C |
Product Overview
5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one (CAS 354538-24-2), with molecular formula C22H22N2OS and molecular weight 362.15 g/mol. IUPAC: 5,5-dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
Property Insights of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
The XLogP value of 5.95662 indicates that 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one?
The CAS number of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one is 354538-24-2.
What is the molecular formula of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one?
The molecular formula of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one is C22H22N2OS.
What is the molecular weight of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one?
The molecular weight of 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one is 362.15 g/mol.
Where can I buy 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one?
You can request a quote for 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.