![3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione structure](/static/products/6966/696620-72-1.webp)
3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione
TL;DR: 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione (CAS 696620-72-1) is a chemical compound with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione
Also Known As: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione, 3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-methyl-2,5-pyrrolidinedione
| Molecular Formula | C17H19N3O2S |
|---|---|
| Molecular Weight | 329.12 g/mol |
| LogP | 2.233 |
| Topological Polar Surface Area | 53.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1198 |
| Heavy Atoms | 23 |
| Complexity | 731.0392 |
Chemical Identifiers
| CAS Number | 696620-72-1 |
|---|---|
| SMILES | CN1C(=O)CC(C1=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3 |
Product Overview
3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione (CAS 696620-72-1), with molecular formula C17H19N3O2S and molecular weight 329.12 g/mol. IUPAC: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione.
Chemical Property Profile of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione
Property Insights of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione
The XLogP value of 2.233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 53.51 Ų, 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione has 0 hydrogen bond donor(s) and 5 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 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The CAS number of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione is 696620-72-1.
What is the molecular formula of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The molecular formula of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione is C17H19N3O2S.
What is the molecular weight of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione?
The molecular weight of 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione is 329.12 g/mol.
Where can I buy 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione?
You can request a quote for 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]-1-methylpyrrolidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.