![2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole structure](/static/products/949/949224-87-7.png)
2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
TL;DR: 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole (CAS 949224-87-7) is a chemical compound with molecular formula C21H22N2OS and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Also Known As: US11116757, No. D10, AB00779562-01, 2-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole, [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 4.93294 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 869.29565 |
Chemical Identifiers
| CAS Number | 949224-87-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C |
Product Overview
2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole (CAS 949224-87-7), with molecular formula C21H22N2OS and molecular weight 350.15 g/mol. IUPAC: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,5-dimethylphenyl)methanone.
Chemical Property Profile of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
Property Insights of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
The XLogP value of 4.93294 indicates that 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole 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 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The CAS number of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole is 949224-87-7.
What is the molecular formula of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The molecular formula of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole is C21H22N2OS.
What is the molecular weight of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The molecular weight of 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole is 350.15 g/mol.
Where can I buy 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole?
You can request a quote for 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(3,5-Dimethylbenzoyl)piperidin-4-yl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.